5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole

C54H35N3 — CID 176831270

About 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole

5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 176831270) has the molecular formula C54H35N3 and a molecular weight of 737.97 g/mol. Its IUPAC name is 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
• PubChem CID: 176831270
• Molecular Formula: C54H35N3
• Molecular Weight: 737.97 g/mol
• Exact Mass: 737.36
• IUPAC Name: 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6-c6ccccc6)c45)c([2H])c32)c([2H])c1[2H]
• InChI: InChI=1S/C54H35N3/c1-3-17-36(18-4-1)39-21-7-13-27-47(39)57-49-29-15-10-24-42(49)44-33-34-51-53(54(44)57)45-25-11-16-30-50(45)56(51)46-26-12-8-22-40(46)37-31-32-43-41-23-9-14-28-48(41)55(52(43)35-37)38-19-5-2-6-20-38/h1-35H/i2D,5D,6D,9D,14D,19D,20D,23D,28D,31D,32D,35D
• InChIKey: UWRUBBSGPDBFBB-ROPRNUPKSA-N
• XLogP: 14.31
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.97
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

The IUPAC name of 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole (CID 176831270) is 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole.

What is the SMILES notation for 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

The canonical SMILES for 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6-c6ccccc6)c45)c([2H])c32)c([2H])c1[2H].

What is the InChIKey of 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

The InChIKey is UWRUBBSGPDBFBB-ROPRNUPKSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-17-36(18-4-1)39-21-7-13-27-47(39)57-49-29-15-10-24-42(49)44-33-34-51-53(54(44)57)45-25-11-16-30-50(45)56(51)46-26-12-8-22-40(46)37-31-32-43-41-23-9-14-28-48(41)55(52(43)35-37)38-19-5-2-6-20-38/h1-35H/i2D,5D,6D,9D,14D,19D,20D,23D,28D,31D,32D,35D.

What are the key properties of 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole?

5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 737.97 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]phenyl]-12-(2-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 176831270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).