10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C60H35N3O — CID 118186402

About 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 118186402) has the molecular formula C60H35N3O and a molecular weight of 813.96 g/mol. Its IUPAC name is 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 118186402
• Molecular Formula: C60H35N3O
• Molecular Weight: 813.96 g/mol
• Exact Mass: 813.28
• IUPAC Name: 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)ccc45)ccc32)cc1
• InChI: InChI=1S/C60H35N3O/c1-2-12-40(13-3-1)61-52-18-8-4-14-42(52)48-30-36(24-28-56(48)61)38-22-26-46-47-27-23-39(33-59(47)64-58(46)32-38)37-25-29-57-49(31-37)43-15-5-9-19-53(43)62(57)41-34-50-44-16-6-10-20-54(44)63-55-21-11-7-17-45(55)51(35-41)60(50)63/h1-35H
• InChIKey: WRKBXPWBEPBMBF-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 27.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.96
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 118186402) is 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4cc(-c6ccc7c(c6)c6ccccc6n7-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)ccc45)ccc32)cc1.

What is the InChIKey of 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is WRKBXPWBEPBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O/c1-2-12-40(13-3-1)61-52-18-8-4-14-42(52)48-30-36(24-28-56(48)61)38-22-26-46-47-27-23-39(33-59(47)64-58(46)32-38)37-25-29-57-49(31-37)43-15-5-9-19-53(43)62(57)41-34-50-44-16-6-10-20-54(44)63-55-21-11-7-17-45(55)51(35-41)60(50)63/h1-35H.

What are the key properties of 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 813.96 g/mol, XLogP of 16.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 118186402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).