9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene

C132H92N8 — CID 160656728

About 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene

9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene (PubChem CID 160656728) has the molecular formula C132H92N8 and a molecular weight of 1790.24 g/mol. Its IUPAC name is 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene.

Molecular Properties

• Compound Name: 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene
• PubChem CID: 160656728
• Molecular Formula: C132H92N8
• Molecular Weight: 1790.24 g/mol
• Exact Mass: 1788.74
• IUPAC Name: 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene
• SMILES: C.c1ccc(-c2cc3c4c(cnc5c(-c6ccc7ccccc7c6)ccc(c54)CN3c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2cc3c4c(cnc5c(-c6ccc7ccccc7c6)ccc(c54)CN3c3ccccc3)c2)cc1.c1ccc(N2Cc3ccc(-c4ccc5ccccc5c4)c4ncc5cc(-c6ccc(C7N(c8ccccc8)c8ccccc8N7c7ccccc7)cc6)cc2c5c34)cc1
• InChI: InChI=1S/C55H38N4.C40H26N2.C36H24N2.CH4/c1-4-16-45(17-5-1)57-36-42-30-31-48(41-29-26-37-14-10-11-15-40(37)32-41)54-53(42)52-44(35-56-54)33-43(34-51(52)57)38-24-27-39(28-25-38)55-58(46-18-6-2-7-19-46)49-22-12-13-23-50(49)59(55)47-20-8-3-9-21-47;1-2-8-26(9-3-1)33-21-34-24-41-40-36(31-15-14-27-10-4-6-12-29(27)20-31)19-17-32-25-42(37(23-33)38(34)39(32)40)35-18-16-28-11-5-7-13-30(28)22-35;1-3-9-24(10-4-1)29-20-30-22-37-36-32(27-16-15-25-11-7-8-12-26(25)19-27)18-17-28-23-38(31-13-5-2-6-14-31)33(21-29)34(30)35(28)36;/h1-35,55H,36H2;1-24H,25H2;1-22H,23H2;1H4
• InChIKey: RLDNUQCETNKUGW-UHFFFAOYSA-N
• XLogP: 35.36
• TPSA: 54.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1790.24
LogP ≤ 5	35.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene?

The IUPAC name of 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene (CID 160656728) is 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene.

What is the SMILES notation for 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene?

The canonical SMILES for 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene is C.c1ccc(-c2cc3c4c(cnc5c(-c6ccc7ccccc7c6)ccc(c54)CN3c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2cc3c4c(cnc5c(-c6ccc7ccccc7c6)ccc(c54)CN3c3ccccc3)c2)cc1.c1ccc(N2Cc3ccc(-c4ccc5ccccc5c4)c4ncc5cc(-c6ccc(C7N(c8ccccc8)c8ccccc8N7c7ccccc7)cc6)cc2c5c34)cc1.

What is the InChIKey of 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene?

The InChIKey is RLDNUQCETNKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4.C40H26N2.C36H24N2.CH4/c1-4-16-45(17-5-1)57-36-42-30-31-48(41-29-26-37-14-10-11-15-40(37)32-41)54-53(42)52-44(35-56-54)33-43(34-51(52)57)38-24-27-39(28-25-38)55-58(46-18-6-2-7-19-46)49-22-12-13-23-50(49)59(55)47-20-8-3-9-21-47;1-2-8-26(9-3-1)33-21-34-24-41-40-36(31-15-14-27-10-4-6-12-29(27)20-31)19-17-32-25-42(37(23-33)38(34)39(32)40)35-18-16-28-11-5-7-13-30(28)22-35;1-3-9-24(10-4-1)29-20-30-22-37-36-32(27-16-15-25-11-7-8-12-26(25)19-27)18-17-28-23-38(31-13-5-2-6-14-31)33(21-29)34(30)35(28)36;/h1-35,55H,36H2;1-24H,25H2;1-22H,23H2;1H4.

What are the key properties of 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene?

9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene has a molecular weight of 1790.24 g/mol, XLogP of 35.36, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-dinaphthalen-2-yl-6-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;6-[4-(1,3-diphenyl-2H-benzimidazol-2-yl)phenyl]-14-naphthalen-2-yl-9-phenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene;methane;14-naphthalen-2-yl-6,9-diphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene is sourced from PubChem (CID 160656728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).