10-(3,5-ditert-butylphenyl)-15,20-dihexyl-21,22-dihydroporphyrin

Systemtic Name: 10-(3,5-ditert-butylphenyl)-15,20-dihexyl-21,22-dihydroporphyrin Openeye Name: 10-(3,5-ditert-butylphenyl)-15,20-dihexyl-21,22-dihydroporphyrin CAS Name: 10-(3,5-ditert-butylphenyl)-15,20-dihexyl-21,22-dihydroporphyrin IUPAC Name: 10-(3,5-ditert-butylphenyl)-15,20-dihexyl-21,22-dihydroporphyrin Traditional Name: 10-(3,5-ditert-butylphenyl)-15,20-dihexyl-21,22-dihydroporphine Formula: C46H58N4 MolecularWeight: 666.97952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)CCCCCC)N3)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)CCCCCC)N3)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C46H58N4/c1-9-11-13-15-17-36-38-21-19-34(47-38)30-35-20-22-42(48-35)44(31-27-32(45(3,4)5)29-33(28-31)46(6,7)8)43-26-25-41(50-43)37(18-16-14-12-10-2)40-24-23-39(36)49-40/h19-30,47-48H,9-18H2,1-8H3