N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline

C258H186N12 — CID 157344681

About N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline

N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline (PubChem CID 157344681) has the molecular formula C258H186N12 and a molecular weight of 3454.41 g/mol. Its IUPAC name is N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline.

Molecular Properties

• Compound Name: N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline
• PubChem CID: 157344681
• Molecular Formula: C258H186N12
• Molecular Weight: 3454.41 g/mol
• Exact Mass: 3451.49
• IUPAC Name: N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline
• SMILES: CN(c1ccccc1)c1ccc(-c2ccc3c4c5ccccc5c5ccccc5c4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.CN(c1ccccc1)c1ccc2c3c4ccccc4c4ccccc4c3n(-c3ccc(-c4ccccc4)cc3)c2c1.Cn1c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2c2c3ccccc3ccc21.Cn1c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2c2cc3ccccc3cc21.Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2c2c3ccccc3ccc21.Cn1c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2c2c3ccccc3c3ccccc3c21
• InChI: InChI=1S/2C47H34N2.C45H32N2.C41H30N2.2C39H28N2/c1-48-46-32-40(24-29-44(46)45-30-38-12-8-9-13-39(38)31-47(45)48)37-18-16-34(17-19-37)36-22-27-43(28-23-36)49(41-14-6-3-7-15-41)42-25-20-35(21-26-42)33-10-4-2-5-11-33;1-48-45-31-25-38-12-8-9-15-43(38)47(45)44-30-24-39(32-46(44)48)37-18-16-34(17-19-37)36-22-28-42(29-23-36)49(40-13-6-3-7-14-40)41-26-20-35(21-27-41)33-10-4-2-5-11-33;1-46(35-14-6-3-7-15-35)36-25-20-33(21-26-36)34-24-29-42-43(30-34)47(37-27-22-32(23-28-37)31-12-4-2-5-13-31)45-41-19-11-9-17-39(41)38-16-8-10-18-40(38)44(42)45;1-42-39-27-21-32-12-8-9-15-37(32)41(39)38-26-20-33(28-40(38)42)31-18-24-36(25-19-31)43(34-13-6-3-7-14-34)35-22-16-30(17-23-35)29-10-4-2-5-11-29;1-40-37-26-31(24-25-36(37)38-34-18-10-8-16-32(34)33-17-9-11-19-35(33)39(38)40)41(29-14-6-3-7-15-29)30-22-20-28(21-23-30)27-12-4-2-5-13-27;1-40(29-14-6-3-7-15-29)31-24-25-36-37(26-31)41(30-22-20-28(21-23-30)27-12-4-2-5-13-27)39-35-19-11-9-17-33(35)32-16-8-10-18-34(32)38(36)39/h2*2-32H,1H3;2-30H,1H3;2-28H,1H3;2*2-26H,1H3
• InChIKey: BGUTVTNQVTVAOR-UHFFFAOYSA-N
• XLogP: 70.69
• TPSA: 49.02 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3454.41
LogP ≤ 5	70.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline?

The IUPAC name of N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline (CID 157344681) is N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline.

What is the SMILES notation for N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline?

The canonical SMILES for N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline is CN(c1ccccc1)c1ccc(-c2ccc3c4c5ccccc5c5ccccc5c4n(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.CN(c1ccccc1)c1ccc2c3c4ccccc4c4ccccc4c3n(-c3ccc(-c4ccccc4)cc3)c2c1.Cn1c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2c2c3ccccc3ccc21.Cn1c2cc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)ccc2c2cc3ccccc3cc21.Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)ccc2c2c3ccccc3ccc21.Cn1c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc2c2c3ccccc3c3ccccc3c21.

What is the InChIKey of N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline?

The InChIKey is BGUTVTNQVTVAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H34N2.C45H32N2.C41H30N2.2C39H28N2/c1-48-46-32-40(24-29-44(46)45-30-38-12-8-9-13-39(38)31-47(45)48)37-18-16-34(17-19-37)36-22-27-43(28-23-36)49(41-14-6-3-7-15-41)42-25-20-35(21-26-42)33-10-4-2-5-11-33;1-48-45-31-25-38-12-8-9-15-43(38)47(45)44-30-24-39(32-46(44)48)37-18-16-34(17-19-37)36-22-28-42(29-23-36)49(40-13-6-3-7-14-40)41-26-20-35(21-27-41)33-10-4-2-5-11-33;1-46(35-14-6-3-7-15-35)36-25-20-33(21-26-36)34-24-29-42-43(30-34)47(37-27-22-32(23-28-37)31-12-4-2-5-13-31)45-41-19-11-9-17-39(41)38-16-8-10-18-40(38)44(42)45;1-42-39-27-21-32-12-8-9-15-37(32)41(39)38-26-20-33(28-40(38)42)31-18-24-36(25-19-31)43(34-13-6-3-7-14-34)35-22-16-30(17-23-35)29-10-4-2-5-11-29;1-40-37-26-31(24-25-36(37)38-34-18-10-8-16-32(34)33-17-9-11-19-35(33)39(38)40)41(29-14-6-3-7-15-29)30-22-20-28(21-23-30)27-12-4-2-5-13-27;1-40(29-14-6-3-7-15-29)31-24-25-36-37(26-31)41(30-22-20-28(21-23-30)27-12-4-2-5-13-27)39-35-19-11-9-17-33(35)32-16-8-10-18-34(32)38(36)39/h2*2-32H,1H3;2-30H,1H3;2-28H,1H3;2*2-26H,1H3.

What are the key properties of N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline?

N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline has a molecular weight of 3454.41 g/mol, XLogP of 70.69, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N,4-diphenylaniline;N-[4-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]phenyl]-N,4-diphenylaniline;21-methyl-N-phenyl-N-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine;N-methyl-N-phenyl-4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]aniline is sourced from PubChem (CID 157344681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).