11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C44H26N4O — CID 146413617

About 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 146413617) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• PubChem CID: 146413617
• Molecular Formula: C44H26N4O
• Molecular Weight: 626.72 g/mol
• Exact Mass: 626.21
• IUPAC Name: 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)-c4ccccc4O5)cc32)cc1
• InChI: InChI=1S/C44H26N4O/c1-2-11-29(12-3-1)47-37-18-7-4-13-30(37)32-23-21-28(26-40(32)47)27-22-24-39-35(25-27)31-14-5-8-19-38(31)48(39)44-45-36-17-10-16-34-33-15-6-9-20-41(33)49-43(46-44)42(34)36/h1-26H
• InChIKey: ZBJBDNIPBMSZOF-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.72
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The IUPAC name of 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 146413617) is 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

What is the SMILES notation for 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The canonical SMILES for 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)-c4ccccc4O5)cc32)cc1.

What is the InChIKey of 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

The InChIKey is ZBJBDNIPBMSZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-2-11-29(12-3-1)47-37-18-7-4-13-30(37)32-23-21-28(26-40(32)47)27-22-24-39-35(25-27)31-14-5-8-19-38(31)48(39)44-45-36-17-10-16-34-33-15-6-9-20-41(33)49-43(46-44)42(34)36/h1-26H.

What are the key properties of 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?

11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 626.72 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 146413617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).