methyl N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)carbamate

Systemtic Name: methyl N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)carbamate Openeye Name: methyl N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)carbamate CAS Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)carbamic acid methyl ester IUPAC Name: methyl N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)carbamate Traditional Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)carbamic acid methyl ester Formula: C46H33N5O2 MolecularWeight: 687.78652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

COC(=O)NC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C46H33N5O2/c1-53-46(52)51-40-28-39-43(31-18-10-4-11-19-31)37-25-24-35(48-37)41(29-14-6-2-7-15-29)33-22-23-34(47-33)42(30-16-8-3-9-17-30)36-26-27-38(49-36)44(45(40)50-39)32-20-12-5-13-21-32/h2-28,48,50H,1H3,(H,51,52)