6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene

C142H84N4OS — CID 157160829

About 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene

6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene (PubChem CID 157160829) has the molecular formula C142H84N4OS and a molecular weight of 1894.33 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene.

Molecular Properties

• Compound Name: 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
• PubChem CID: 157160829
• Molecular Formula: C142H84N4OS
• Molecular Weight: 1894.33 g/mol
• Exact Mass: 1892.64
• IUPAC Name: 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccc(-c6ccc7oc8ccccc8c7c6)cc53)-c3cccc5cccc-4c35)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(n5-c5ccc6c7ccccc7c7ccccc7c6c5)-c5cccc6cccc-4c56)ccc32)cc1.c1ccc2cc(-n3c4c(c5cc(-c6ccc7sc8ccccc8c7c6)ccc53)-c3cccc5cccc-4c35)ccc2c1
• InChI: InChI=1S/C54H32N2.C48H29NO.C40H23NS/c1-2-14-36(15-3-1)55-49-23-9-8-20-43(49)47-30-34(24-28-50(47)55)35-25-29-51-48(31-35)53-44-21-10-12-33-13-11-22-45(52(33)44)54(53)56(51)37-26-27-42-40-18-5-4-16-38(40)39-17-6-7-19-41(39)46(42)32-37;1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)49-43-29-34(33-22-24-45-42(28-33)38-17-7-8-20-44(38)50-45)21-23-39(43)47-40-18-9-15-32-16-10-19-41(46(32)40)48(47)49;1-2-8-26-21-29(18-15-24(26)7-1)41-35-19-16-27(28-17-20-37-33(22-28)30-11-3-4-14-36(30)42-37)23-34(35)39-31-12-5-9-25-10-6-13-32(38(25)31)40(39)41/h1-32H;1-29H;1-23H
• InChIKey: AMIVNJXJPKGREK-UHFFFAOYSA-N
• XLogP: 39.61
• TPSA: 32.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1894.33
LogP ≤ 5	39.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

The IUPAC name of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene (CID 157160829) is 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene.

What is the SMILES notation for 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

The canonical SMILES for 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4c(c5ccc(-c6ccc7oc8ccccc8c7c6)cc53)-c3cccc5cccc-4c35)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(n5-c5ccc6c7ccccc7c7ccccc7c6c5)-c5cccc6cccc-4c56)ccc32)cc1.c1ccc2cc(-n3c4c(c5cc(-c6ccc7sc8ccccc8c7c6)ccc53)-c3cccc5cccc-4c35)ccc2c1.

What is the InChIKey of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

The InChIKey is AMIVNJXJPKGREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2.C48H29NO.C40H23NS/c1-2-14-36(15-3-1)55-49-23-9-8-20-43(49)47-30-34(24-28-50(47)55)35-25-29-51-48(31-35)53-44-21-10-12-33-13-11-22-45(52(33)44)54(53)56(51)37-26-27-42-40-18-5-4-16-38(40)39-17-6-7-19-41(39)46(42)32-37;1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)49-43-29-34(33-22-24-45-42(28-33)38-17-7-8-20-44(38)50-45)21-23-39(43)47-40-18-9-15-32-16-10-19-41(46(32)40)48(47)49;1-2-8-26-21-29(18-15-24(26)7-1)41-35-19-16-27(28-17-20-37-33(22-28)30-11-3-4-14-36(30)42-37)23-34(35)39-31-12-5-9-25-10-6-13-32(38(25)31)40(39)41/h1-32H;1-29H;1-23H.

What are the key properties of 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene?

6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene has a molecular weight of 1894.33 g/mol, XLogP of 39.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-dibenzothiophen-2-yl-9-naphthalen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene;5-(9-phenylcarbazol-3-yl)-9-triphenylen-2-yl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene is sourced from PubChem (CID 157160829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).