9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

C51H33N5 — CID 154646952

About 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (PubChem CID 154646952) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.

Molecular Properties

• Compound Name: 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
• PubChem CID: 154646952
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)n(-c5ccccc5)c5nc7c(c8ccccc8n7-c7ccccc7)n65)ccc43)cc2)cc1
• InChI: InChI=1S/C51H33N5/c1-4-14-34(15-5-1)35-24-28-40(29-25-35)53-44-22-12-10-20-41(44)43-32-36(26-30-46(43)53)37-27-31-47-48(33-37)55(39-18-8-3-9-19-39)51-52-50-49(56(47)51)42-21-11-13-23-45(42)54(50)38-16-6-2-7-17-38/h1-33H
• InChIKey: XOPQOVNMDCHOIL-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 32.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

The IUPAC name of 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (CID 154646952) is 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.

What is the SMILES notation for 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

The canonical SMILES for 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)n(-c5ccccc5)c5nc7c(c8ccccc8n7-c7ccccc7)n65)ccc43)cc2)cc1.

What is the InChIKey of 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

The InChIKey is XOPQOVNMDCHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-14-34(15-5-1)35-24-28-40(29-25-35)53-44-22-12-10-20-41(44)43-32-36(26-30-46(43)53)37-27-31-47-48(33-37)55(39-18-8-3-9-19-39)51-52-50-49(56(47)51)42-21-11-13-23-45(42)54(50)38-16-6-2-7-17-38/h1-33H.

What are the key properties of 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?

9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene has a molecular weight of 715.86 g/mol, XLogP of 12.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is sourced from PubChem (CID 154646952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).