15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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

C52H30N4O — CID 129297934

About 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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 129297934) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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: 129297934
• Molecular Formula: C52H30N4O
• Molecular Weight: 726.84 g/mol
• Exact Mass: 726.24
• IUPAC Name: 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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: c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc7ccccc7c6)ccc54)nc-2c13
• InChI: InChI=1S/C52H30N4O/c1-2-11-32-26-37(23-20-31(32)10-1)55-45-24-21-36(29-41(45)42-27-33-12-3-4-13-34(33)30-47(42)55)35-22-25-46-40(28-35)38-14-5-7-17-44(38)56(46)52-53-43-16-9-19-49-50(43)51(54-52)39-15-6-8-18-48(39)57-49/h1-30H
• InChIKey: OCXMHGMVNVHGQE-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.84
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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 129297934) is 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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 c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc8ccccc8cc6n7-c6ccc7ccccc7c6)ccc54)nc-2c13.

What is the InChIKey of 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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 OCXMHGMVNVHGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-11-32-26-37(23-20-31(32)10-1)55-45-24-21-36(29-41(45)42-27-33-12-3-4-13-34(33)30-47(42)55)35-22-25-46-40(28-35)38-14-5-7-17-44(38)56(46)52-53-43-16-9-19-49-50(43)51(54-52)39-15-6-8-18-48(39)57-49/h1-30H.

What are the key properties of 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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 726.84 g/mol, XLogP of 13.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-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 129297934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).