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

C50H30N4 — CID 130326137

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

4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 130326137) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-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-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• PubChem CID: 130326137
• Molecular Formula: C50H30N4
• Molecular Weight: 686.82 g/mol
• Exact Mass: 686.25
• IUPAC Name: 4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c7c(cccc57)-c5ncccc5-6)ccc43)c2)cc1
• InChI: InChI=1S/C50H30N4/c1-2-11-31(12-3-1)32-13-8-14-35(27-32)53-44-20-6-4-15-36(44)41-28-33(22-24-46(41)53)34-23-25-47-42(29-34)37-16-5-7-21-45(37)54(47)50-40-18-9-17-39-48(40)43(30-52-50)38-19-10-26-51-49(38)39/h1-30H
• InChIKey: IMUPTBAIJMRTSP-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-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-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-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 130326137) is 4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-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-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-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-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ncc6c7c(cccc57)-c5ncccc5-6)ccc43)c2)cc1.

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

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

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

4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-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-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,11-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 130326137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).