13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C50H30N4 — CID 130326472

About 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 130326472) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

• Compound Name: 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• PubChem CID: 130326472
• Molecular Formula: C50H30N4
• Molecular Weight: 686.82 g/mol
• Exact Mass: 686.25
• IUPAC Name: 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(n6)-c6nccc8cccc-7c68)ccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C50H30N4/c1-3-11-35(12-4-1)53-44-17-8-7-15-37(44)40-28-32(18-23-45(40)53)33-19-24-46-41(29-33)42-30-34(20-25-47(42)54(46)36-13-5-2-6-14-36)43-22-21-39-38-16-9-10-31-26-27-51-50(48(31)38)49(39)52-43/h1-30H
• InChIKey: NIZDDPVAEPWUJQ-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.82
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The IUPAC name of 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 130326472) is 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

What is the SMILES notation for 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The canonical SMILES for 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(n6)-c6nccc8cccc-7c68)ccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The InChIKey is NIZDDPVAEPWUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-3-11-35(12-4-1)53-44-17-8-7-15-37(44)40-28-32(18-23-45(40)53)33-19-24-46-41(29-33)42-30-34(20-25-47(42)54(46)36-13-5-2-6-14-36)43-22-21-39-38-16-9-10-31-26-27-51-50(48(31)38)49(39)52-43/h1-30H.

What are the key properties of 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene has a molecular weight of 686.82 g/mol, XLogP of 12.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 130326472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).