3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C50H30N4 — CID 130325819

About 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 130325819) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

• Compound Name: 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• PubChem CID: 130325819
• Molecular Formula: C50H30N4
• Molecular Weight: 686.82 g/mol
• Exact Mass: 686.25
• IUPAC Name: 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)c4)ccc32)cc1
• InChI: InChI=1S/C50H30N4/c1-2-13-34(14-3-1)53-44-22-8-6-17-37(44)41-29-31(24-26-46(41)53)32-25-27-47-42(30-32)38-18-7-9-23-45(38)54(47)35-15-10-12-33(28-35)50-51-43-21-11-20-39-36-16-4-5-19-40(36)49(52-50)48(39)43/h1-30H
• InChIKey: PPPJKAFGSCRWRJ-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 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The IUPAC name of 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 130325819) is 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

What is the SMILES notation for 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

The canonical SMILES for 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc6c7c(cccc7n5)-c5ccccc5-6)c4)ccc32)cc1.

What is the InChIKey of 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

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

What are the key properties of 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?

3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-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 3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 130325819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).