N-butyl-10,20-bis(3,5-ditert-butylphenyl)-23,24-dihydroporphyrin-5-amine

Systemtic Name: N-butyl-10,20-bis(3,5-ditert-butylphenyl)-23,24-dihydroporphyrin-5-amine Openeye Name: N-butyl-10,20-bis(3,5-ditert-butylphenyl)-23,24-dihydroporphyrin-5-amine CAS Name: N-butyl-10,20-bis(3,5-ditert-butylphenyl)-23,24-dihydroporphyrin-5-amine IUPAC Name: N-butyl-10,20-bis(3,5-ditert-butylphenyl)-23,24-dihydroporphyrin-5-amine Traditional Name: [10,20-bis(3,5-ditert-butylphenyl)-23,24-dihydroporphin-5-yl]-butyl-amine Formula: C52H63N5 MolecularWeight: 758.09012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)N3)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCNC1=C2C=CC(=N2)C(=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC1=N5)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)N3)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C52H63N5/c1-14-15-24-53-48-44-22-20-42(56-44)46(32-25-34(49(2,3)4)29-35(26-32)50(5,6)7)40-18-16-38(54-40)31-39-17-19-41(55-39)47(43-21-23-45(48)57-43)33-27-36(51(8,9)10)30-37(28-33)52(11,12)13/h16-23,25-31,53-55H,14-15,24H2,1-13H3