N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline

C134H83N7 — CID 159098658

About N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline

N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline (PubChem CID 159098658) has the molecular formula C134H83N7 and a molecular weight of 1791.19 g/mol. Its IUPAC name is N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline.

Molecular Properties

• Compound Name: N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline
• PubChem CID: 159098658
• Molecular Formula: C134H83N7
• Molecular Weight: 1791.19 g/mol
• Exact Mass: 1789.67
• IUPAC Name: N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline
• SMILES: c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)cc2)cc1.c1cnc2c(c1)ccc1c(-c3ccc4cc5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc5cc4c3)c3ccccc3nc12
• InChI: InChI=1S/C48H28N2.C46H31N3.C40H24N2/c1-2-11-39-37(9-1)38-10-3-4-12-40(38)44-28-33(20-21-41(39)44)30-15-16-31-26-36-27-34(18-17-32(36)25-35(31)24-30)46-42-13-5-6-14-45(42)50-48-43(46)22-19-29-8-7-23-49-47(29)48;1-3-10-32(11-4-1)34-17-24-38(25-18-34)49(39-26-19-35(20-27-39)33-12-5-2-6-13-33)40-28-21-36(22-29-40)44-41-15-7-8-16-43(41)48-46-42(44)30-23-37-14-9-31-47-45(37)46;1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-24-27(19-20-33(31)36)26-9-7-10-28(23-26)38-34-16-5-6-17-37(34)42-40-35(38)21-18-25-11-8-22-41-39(25)40/h1-28H;1-31H;1-24H
• InChIKey: KCZKTJGMTBBVKC-UHFFFAOYSA-N
• XLogP: 36.17
• TPSA: 80.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1791.19
LogP ≤ 5	36.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline?

The IUPAC name of N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline (CID 159098658) is N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline.

What is the SMILES notation for N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline?

The canonical SMILES for N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2c3ccccc3nc3c2ccc2cccnc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c5ccccc5nc5c4ccc4cccnc45)cc3)cc2)cc1.c1cnc2c(c1)ccc1c(-c3ccc4cc5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)ccc5cc4c3)c3ccccc3nc12.

What is the InChIKey of N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline?

The InChIKey is KCZKTJGMTBBVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2.C46H31N3.C40H24N2/c1-2-11-39-37(9-1)38-10-3-4-12-40(38)44-28-33(20-21-41(39)44)30-15-16-31-26-36-27-34(18-17-32(36)25-35(31)24-30)46-42-13-5-6-14-45(42)50-48-43(46)22-19-29-8-7-23-49-47(29)48;1-3-10-32(11-4-1)34-17-24-38(25-18-34)49(39-26-19-35(20-27-39)33-12-5-2-6-13-33)40-28-21-36(22-29-40)44-41-15-7-8-16-43(41)48-46-42(44)30-23-37-14-9-31-47-45(37)46;1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-24-27(19-20-33(31)36)26-9-7-10-28(23-26)38-34-16-5-6-17-37(34)42-40-35(38)21-18-25-11-8-22-41-39(25)40/h1-28H;1-31H;1-24H.

What are the key properties of N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline?

N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline has a molecular weight of 1791.19 g/mol, XLogP of 36.17, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-benzo[b][1,10]phenanthrolin-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;7-(6-triphenylen-2-ylanthracen-2-yl)benzo[b][1,10]phenanthroline;7-(3-triphenylen-2-ylphenyl)benzo[b][1,10]phenanthroline is sourced from PubChem (CID 159098658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).