2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C55H33N3 — CID 130325745

About 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 130325745) has the molecular formula C55H33N3 and a molecular weight of 735.89 g/mol. Its IUPAC name is 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

• Compound Name: 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
• PubChem CID: 130325745
• Molecular Formula: C55H33N3
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.27
• IUPAC Name: 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
• SMILES: c1cc(-c2ncc3cccc4c3c2-c2ccccc2-4)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)c1
• InChI: InChI=1S/C55H33N3/c1-2-12-35-29-41(26-23-34(35)11-1)58-50-22-8-6-18-44(50)48-32-37(25-28-52(48)58)36-24-27-51-47(31-36)43-17-5-7-21-49(43)57(51)40-15-9-13-38(30-40)55-54-46-19-4-3-16-42(46)45-20-10-14-39(33-56-55)53(45)54/h1-33H
• InChIKey: UXMNUHQHUCSDDO-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.89
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

The IUPAC name of 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 130325745) is 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

What is the SMILES notation for 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

The canonical SMILES for 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1cc(-c2ncc3cccc4c3c2-c2ccccc2-4)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)c1.

What is the InChIKey of 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

The InChIKey is UXMNUHQHUCSDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3/c1-2-12-35-29-41(26-23-34(35)11-1)58-50-22-8-6-18-44(50)48-32-37(25-28-52(48)58)36-24-27-51-47(31-36)43-17-5-7-21-49(43)57(51)40-15-9-13-38(30-40)55-54-46-19-4-3-16-42(46)45-20-10-14-39(33-56-55)53(45)54/h1-33H.

What are the key properties of 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 735.89 g/mol, XLogP of 14.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 130325745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).