10-(5-bromanylpyridin-3-yl)-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 10-(5-bromanylpyridin-3-yl)-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 10-(5-bromo-3-pyridyl)-15-hexyl-20-sec-butyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin CAS Name: 10-(5-bromo-3-pyridinyl)-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 10-(5-bromopyridin-3-yl)-20-butan-2-yl-15-hexyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 10-(5-bromo-3-pyridyl)-15-hexyl-20-sec-butyl-5-(3,4,5-trimethoxyphenyl)-21,22-dihydroporphine Formula: C44H46BrN5O3 MolecularWeight: 772.77174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C(C)CC)C6=CC(=C(C(=C6)OC)OC)OC)N3)C7=CC(=CN=C7)Br

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC1=N5)C(C)CC)C6=CC(=C(C(=C6)OC)OC)OC)N3)C7=CC(=CN=C7)Br

InChI

InChI=1S/C44H46BrN5O3/c1-7-9-10-11-12-30-31-13-15-33(47-31)41(26(3)8-2)34-17-18-35(49-34)42(27-22-39(51-4)44(53-6)40(23-27)52-5)36-19-20-38(50-36)43(37-16-14-32(30)48-37)28-21-29(45)25-46-24-28/h13-26,49-50H,7-12H2,1-6H3