11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine

C168H126N8 — CID 161357581

About 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine

11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (PubChem CID 161357581) has the molecular formula C168H126N8 and a molecular weight of 2256.91 g/mol. Its IUPAC name is 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine.

Molecular Properties

• Compound Name: 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
• PubChem CID: 161357581
• Molecular Formula: C168H126N8
• Molecular Weight: 2256.91 g/mol
• Exact Mass: 2255.01
• IUPAC Name: 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
• SMILES: C1=Cc2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)cc2)c2ccccc21.Cc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1
• InChI: InChI=1S/C76H62N4.C52H36N2.C40H28N2/c1-55-15-11-23-73(51-55)79(74-24-12-16-56(2)52-74)71-47-35-63(36-48-71)61-31-43-69(44-32-61)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)70-45-33-62(34-46-70)64-37-49-72(50-38-64)80(75-25-13-17-57(3)53-75)76-26-14-18-58(4)54-76;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-5-13-37-31(9-1)17-18-32-10-2-6-14-38(32)41(37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-39-15-7-3-11-33(39)19-20-34-12-4-8-16-40(34)42/h5-54H,1-4H3;1-36H;1-28H
• InChIKey: VOSZMBKSTXGZKA-UHFFFAOYSA-N
• XLogP: 47.97
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2256.91
LogP ≤ 5	47.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?

The IUPAC name of 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine (CID 161357581) is 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine.

What is the SMILES notation for 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?

The canonical SMILES for 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine is C1=Cc2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5C=Cc5ccccc54)cc3)cc2)c2ccccc21.Cc1cccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc(N(c8cccc(C)c8)c8cccc(C)c8)cc7)cc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccccc5c5ccccc45)cc3)cc2)c2cc3ccccc3c3ccccc23)cc1.

What is the InChIKey of 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?

The InChIKey is VOSZMBKSTXGZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62N4.C52H36N2.C40H28N2/c1-55-15-11-23-73(51-55)79(74-24-12-16-56(2)52-74)71-47-35-63(36-48-71)61-31-43-69(44-32-61)77(65-19-7-5-8-20-65)67-39-27-59(28-40-67)60-29-41-68(42-30-60)78(66-21-9-6-10-22-66)70-45-33-62(34-46-70)64-37-49-72(50-38-64)80(75-25-13-17-57(3)53-75)76-26-14-18-58(4)54-76;1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52;1-5-13-37-31(9-1)17-18-32-10-2-6-14-38(32)41(37)35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-39-15-7-3-11-33(39)19-20-34-12-4-8-16-40(34)42/h5-54H,1-4H3;1-36H;1-28H.

What are the key properties of 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine?

11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine has a molecular weight of 2256.91 g/mol, XLogP of 47.97, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(4-benzo[b][1]benzazepin-11-ylphenyl)phenyl]benzo[b][1]benzazepine;3-methyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(3-methylphenyl)aniline;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 161357581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).