15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C48H28N4O — CID 129297932

About 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297932) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 129297932
• Molecular Formula: C48H28N4O
• Molecular Weight: 676.78 g/mol
• Exact Mass: 676.23
• IUPAC Name: 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)ccc32)cc1
• InChI: InChI=1S/C48H28N4O/c1-2-13-33(14-3-1)51-40-18-8-6-15-34(40)36-26-31(21-23-41(36)51)32-22-24-42-37(27-32)38-25-29-11-4-5-12-30(29)28-43(38)52(42)48-49-39-17-10-20-45-46(39)47(50-48)35-16-7-9-19-44(35)53-45/h1-28H
• InChIKey: WWMWITFODVOBQV-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.78
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297932) is 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)ccc32)cc1.

What is the InChIKey of 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is WWMWITFODVOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-2-13-33(14-3-1)51-40-18-8-6-15-34(40)36-26-31(21-23-41(36)51)32-22-24-42-37(27-32)38-25-29-11-4-5-12-30(29)28-43(38)52(42)48-49-39-17-10-20-45-46(39)47(50-48)35-16-7-9-19-44(35)53-45/h1-28H.

What are the key properties of 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 676.78 g/mol, XLogP of 12.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).