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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene

C169H115N9O — CID 158109255

About 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene (PubChem CID 158109255) has the molecular formula C169H115N9O and a molecular weight of 2287.84 g/mol. Its IUPAC name is 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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: 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene
• PubChem CID: 158109255
• Molecular Formula: C169H115N9O
• Molecular Weight: 2287.84 g/mol
• Exact Mass: 2285.92
• IUPAC Name: 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene
• SMILES: C1=C2CN(c3ccccc3)c3cc(-c4ccccc4)cc4c3=C2C(OC=4)C(c2ccc3ccccc3c2)=C1.c1ccc(-c2cc3c4c(c2)c(-c2ccccc2)nc2c(-c5ccc6ccccc6c5)ccc(c24)CN3c2ccccc2)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.C42H28N2.C36H24N2.C36H25NO/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;1-4-12-28(13-5-1)34-25-37-40-38(26-34)44(35-18-8-3-9-19-35)27-33-22-23-36(32-21-20-29-14-10-11-17-31(29)24-32)42(39(33)40)43-41(37)30-15-6-2-7-16-30;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;1-3-9-24(10-4-1)29-20-30-23-38-36-32(27-16-15-25-11-7-8-12-26(25)19-27)18-17-28-22-37(31-13-5-2-6-14-31)33(21-29)34(30)35(28)36/h1-35,55H,36H2;1-26H,27H2;1-22H,23H2;1-21,23,36H,22H2
• InChIKey: FQFKMGVALOQIOY-UHFFFAOYSA-N
• XLogP: 42.21
• TPSA: 67.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2287.84
LogP ≤ 5	42.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene (CID 158109255) is 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,11(15),12-heptaene is C1=C2CN(c3ccccc3)c3cc(-c4ccccc4)cc4c3=C2C(OC=4)C(c2ccc3ccccc3c2)=C1.c1ccc(-c2cc3c4c(c2)c(-c2ccccc2)nc2c(-c5ccc6ccccc6c5)ccc(c24)CN3c2ccccc2)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 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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 FQFKMGVALOQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4.C42H28N2.C36H24N2.C36H25NO/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;1-4-12-28(13-5-1)34-25-37-40-38(26-34)44(35-18-8-3-9-19-35)27-33-22-23-36(32-21-20-29-14-10-11-17-31(29)24-32)42(39(33)40)43-41(37)30-15-6-2-7-16-30;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;1-3-9-24(10-4-1)29-20-30-23-38-36-32(27-16-15-25-11-7-8-12-26(25)19-27)18-17-28-22-37(31-13-5-2-6-14-31)33(21-29)34(30)35(28)36/h1-35,55H,36H2;1-26H,27H2;1-22H,23H2;1-21,23,36H,22H2.

What are the key properties of 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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 2287.84 g/mol, XLogP of 42.21, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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;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;14-naphthalen-2-yl-6,9-diphenyl-2-oxa-9-azatetracyclo[6.6.2.04,16.011,15]hexadeca-3,5,7,11,13,15-hexaene;14-naphthalen-2-yl-3,6,9-triphenyl-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 158109255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).