4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C50H30N4 — CID 130326171

About 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 130326171) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

• Compound Name: 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• PubChem CID: 130326171
• Molecular Formula: C50H30N4
• Molecular Weight: 686.82 g/mol
• Exact Mass: 686.25
• IUPAC Name: 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-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)c4ccc(-c6ncc7c8c(cccc68)-c6cnccc6-7)cc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C50H30N4/c1-3-10-34(11-4-1)53-45-17-8-7-14-37(45)41-26-31(19-22-46(41)53)32-20-23-47-42(27-32)38-21-18-33(28-48(38)54(47)35-12-5-2-6-13-35)50-40-16-9-15-39-43-29-51-25-24-36(43)44(30-52-50)49(39)40/h1-30H
• InChIKey: VNZNTCIYEHURQO-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 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The IUPAC name of 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 130326171) is 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-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 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

The canonical SMILES for 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-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)c4ccc(-c6ncc7c8c(cccc68)-c6cnccc6-7)cc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

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

What are the key properties of 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?

4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-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 4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-3,12-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 130326171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).