6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

C228H144N16 — CID 159984784

About 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (PubChem CID 159984784) has the molecular formula C228H144N16 and a molecular weight of 3107.77 g/mol. Its IUPAC name is 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
• PubChem CID: 159984784
• Molecular Formula: C228H144N16
• Molecular Weight: 3107.77 g/mol
• Exact Mass: 3105.18
• IUPAC Name: 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4cccc(-c5ccc6c(c5)c5cc7nc(-c8ccccc8)c8ccccc8c7cc5n6-c5ccccc5)c4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc8ccccc8n7-c7cc8ccccc8c8ccccc78)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc8ccccc8n7-c7ccc8ccccc8c7)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc8ccccc8n7-c7cccc8ccccc78)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1
• InChI: InChI=1S/C62H40N4.C58H36N4.2C54H34N4/c1-5-18-41(19-6-1)47-35-48(42-20-7-2-8-21-42)37-50(36-47)66-59-31-16-15-30-56(59)64-62(66)46-25-17-24-44(34-46)45-32-33-58-54(38-45)55-39-57-53(40-60(55)65(58)49-26-11-4-12-27-49)51-28-13-14-29-52(51)61(63-57)43-22-9-3-10-23-43;1-3-16-37(17-4-1)57-47-27-12-10-25-45(47)48-36-56-50(35-52(48)59-57)49-33-39(30-31-53(49)61(56)42-21-5-2-6-22-42)38-19-15-20-41(32-38)58-60-51-28-13-14-29-54(51)62(58)55-34-40-18-7-8-23-43(40)44-24-9-11-26-46(44)55;1-3-16-36(17-4-1)53-43-25-10-9-24-42(43)44-34-52-46(33-48(44)55-53)45-32-38(29-30-50(45)57(52)40-21-5-2-6-22-40)37-19-13-20-39(31-37)54-56-47-26-11-12-27-51(47)58(54)49-28-14-18-35-15-7-8-23-41(35)49;1-3-15-36(16-4-1)53-44-23-10-9-22-43(44)45-34-52-47(33-49(45)55-53)46-32-39(27-29-50(46)57(52)41-20-5-2-6-21-41)37-18-13-19-40(30-37)54-56-48-24-11-12-25-51(48)58(54)42-28-26-35-14-7-8-17-38(35)31-42/h1-40H;1-36H;2*1-34H
• InChIKey: OGETVKYIONWOFW-UHFFFAOYSA-N
• XLogP: 59.25
• TPSA: 142.56 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3107.77
LogP ≤ 5	59.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The IUPAC name of 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (CID 159984784) is 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The canonical SMILES for 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4cccc(-c5ccc6c(c5)c5cc7nc(-c8ccccc8)c8ccccc8c7cc5n6-c5ccccc5)c4)nc4ccccc43)c2)cc1.c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc8ccccc8n7-c7cc8ccccc8c8ccccc78)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc8ccccc8n7-c7ccc8ccccc8c7)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.c1ccc(-c2nc3cc4c5cc(-c6cccc(-c7nc8ccccc8n7-c7cccc8ccccc78)c6)ccc5n(-c5ccccc5)c4cc3c3ccccc23)cc1.

What is the InChIKey of 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The InChIKey is OGETVKYIONWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4.C58H36N4.2C54H34N4/c1-5-18-41(19-6-1)47-35-48(42-20-7-2-8-21-42)37-50(36-47)66-59-31-16-15-30-56(59)64-62(66)46-25-17-24-44(34-46)45-32-33-58-54(38-45)55-39-57-53(40-60(55)65(58)49-26-11-4-12-27-49)51-28-13-14-29-52(51)61(63-57)43-22-9-3-10-23-43;1-3-16-37(17-4-1)57-47-27-12-10-25-45(47)48-36-56-50(35-52(48)59-57)49-33-39(30-31-53(49)61(56)42-21-5-2-6-22-42)38-19-15-20-41(32-38)58-60-51-28-13-14-29-54(51)62(58)55-34-40-18-7-8-23-43(40)44-24-9-11-26-46(44)55;1-3-16-36(17-4-1)53-43-25-10-9-24-42(43)44-34-52-46(33-48(44)55-53)45-32-38(29-30-50(45)57(52)40-21-5-2-6-22-40)37-19-13-20-39(31-37)54-56-47-26-11-12-27-51(47)58(54)49-28-14-18-35-15-7-8-23-41(35)49;1-3-15-36(16-4-1)53-44-23-10-9-22-43(44)45-34-52-47(33-49(45)55-53)46-32-39(27-29-50(46)57(52)41-20-5-2-6-21-41)37-18-13-19-40(30-37)54-56-48-24-11-12-25-51(48)58(54)42-28-26-35-14-7-8-17-38(35)31-42/h1-40H;1-36H;2*1-34H.

What are the key properties of 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene has a molecular weight of 3107.77 g/mol, XLogP of 59.25, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[1-(3,5-diphenylphenyl)benzimidazol-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-1-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;6-[3-(1-phenanthren-9-ylbenzimidazol-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 159984784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).