4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

C227H138N17OP — CID 162174468

About 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (PubChem CID 162174468) has the molecular formula C227H138N17OP and a molecular weight of 3150.69 g/mol. Its IUPAC name is 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
• PubChem CID: 162174468
• Molecular Formula: C227H138N17OP
• Molecular Weight: 3150.69 g/mol
• Exact Mass: 3148.10
• IUPAC Name: 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
• SMILES: N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cnc6c(ccc7cc8ccccc8nc76)c5)cc4)c4ccccc34)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(-c4cnc5c(ccc6cc7ccccc7nc65)c4)cc3)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3cc4ccc5ccccc5c4nc3c3ncccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cc7cc8ccc9ccccc9c8nc7c7ncccc67)cc5)c5ccccc45)cc3)n2)cc1.c1ccc2c(c1)ccc1cc3cc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c5ccccc45)c4cccnc4c3nc12
• InChI: InChI=1S/C57H35N5.C48H28N4.C45H27N3.C39H23N3.C38H25N2OP/c1-3-13-40(14-4-1)55-60-56(41-15-5-2-6-16-41)62-57(61-55)42-28-25-38(26-29-42)46-32-31-45(48-18-9-10-19-49(46)48)37-21-23-39(24-22-37)51-35-44-34-43-30-27-36-12-7-8-17-47(36)52(43)59-53(44)54-50(51)20-11-33-58-54;1-2-9-37-29(7-1)15-20-34-27-35-28-42(41-12-6-26-50-48(41)47(35)52-44(34)37)40-23-22-36(38-10-3-4-11-39(38)40)30-13-16-31(17-14-30)43-24-21-33-19-18-32-8-5-25-49-45(32)46(33)51-43;46-27-29-9-11-30(12-10-29)31-13-17-33(18-14-31)39-23-24-40(42-7-3-2-6-41(39)42)34-19-15-32(16-20-34)38-26-36-21-22-37-25-35-5-1-4-8-43(35)48-45(37)44(36)47-28-38;40-23-25-9-11-27(12-10-25)33-19-20-34(36-7-3-2-6-35(33)36)28-15-13-26(14-16-28)32-22-30-17-18-31-21-29-5-1-4-8-37(29)42-39(31)38(30)41-24-32;41-42(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-21-19-27(20-22-32)35-25-29-24-28-18-17-26-10-7-8-15-33(26)36(28)40-37(29)38-34(35)16-9-23-39-38/h1-35H;1-28H;1-26,28H;1-22,24H;1-25H
• InChIKey: ZOEZYWFQFXWHBJ-UHFFFAOYSA-N
• XLogP: 56.76
• TPSA: 258.00 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3150.69
LogP ≤ 5	56.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'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 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

The IUPAC name of 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (CID 162174468) is 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.

What is the SMILES notation for 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

The canonical SMILES for 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cnc6c(ccc7cc8ccccc8nc76)c5)cc4)c4ccccc34)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(-c4cnc5c(ccc6cc7ccccc7nc65)c4)cc3)c3ccccc23)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3cc4ccc5ccccc5c4nc3c3ncccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5ccc(-c6cc7cc8ccc9ccccc9c8nc7c7ncccc67)cc5)c5ccccc45)cc3)n2)cc1.c1ccc2c(c1)ccc1cc3cc(-c4ccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c5ccccc45)c4cccnc4c3nc12.

What is the InChIKey of 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

The InChIKey is ZOEZYWFQFXWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5.C48H28N4.C45H27N3.C39H23N3.C38H25N2OP/c1-3-13-40(14-4-1)55-60-56(41-15-5-2-6-16-41)62-57(61-55)42-28-25-38(26-29-42)46-32-31-45(48-18-9-10-19-49(46)48)37-21-23-39(24-22-37)51-35-44-34-43-30-27-36-12-7-8-17-47(36)52(43)59-53(44)54-50(51)20-11-33-58-54;1-2-9-37-29(7-1)15-20-34-27-35-28-42(41-12-6-26-50-48(41)47(35)52-44(34)37)40-23-22-36(38-10-3-4-11-39(38)40)30-13-16-31(17-14-30)43-24-21-33-19-18-32-8-5-25-49-45(32)46(33)51-43;46-27-29-9-11-30(12-10-29)31-13-17-33(18-14-31)39-23-24-40(42-7-3-2-6-41(39)42)34-19-15-32(16-20-34)38-26-36-21-22-37-25-35-5-1-4-8-43(35)48-45(37)44(36)47-28-38;40-23-25-9-11-27(12-10-25)33-19-20-34(36-7-3-2-6-35(33)36)28-15-13-26(14-16-28)32-22-30-17-18-31-21-29-5-1-4-8-37(29)42-39(31)38(30)41-24-32;41-42(30-11-3-1-4-12-30,31-13-5-2-6-14-31)32-21-19-27(20-22-32)35-25-29-24-28-18-17-26-10-7-8-15-33(26)36(28)40-37(29)38-34(35)16-9-23-39-38/h1-35H;1-28H;1-26,28H;1-22,24H;1-25H.

What are the key properties of 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?

4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene has a molecular weight of 3150.69 g/mol, XLogP of 56.76, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]benzonitrile;4-[4-[4-(4-benzo[b][1,10]phenanthrolin-3-ylphenyl)naphthalen-1-yl]phenyl]benzonitrile;10-(4-diphenylphosphorylphenyl)-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene;10-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]-2,5-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 162174468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).