2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole

C24H16BrN — CID 172519786

IUPAC2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3c([2H])c(Br)c([2H])c([2H])c3c3c([2H])c([2H])c(-c4ccccc4)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C24H16BrN/c25-19-12-14-22-21-13-11-18(17-7-3-1-4-8-17)15-23(21)26(24(22)16-19)20-9-5-2-6-10-20/h1-16H/i2D,5D,6D,9D,10D,11D,12D,13D,14D,15D,16D
InChIKeyZRWIRHYLHIQKSD-KMBMLZHQSA-N
MW409.37 g/mol
LogP7.21
Rot. Bonds2

About 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole

2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole (PubChem CID 172519786) has the molecular formula C24H16BrN and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole.

Molecular Properties

Compound Name2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole
PubChem CID172519786
Molecular FormulaC24H16BrN
Molecular Weight409.37 g/mol
Exact Mass408.12
IUPAC Name2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3c([2H])c(Br)c([2H])c([2H])c3c3c([2H])c([2H])c(-c4ccccc4)c([2H])c32)c([2H])c1[2H]
InChIInChI=1S/C24H16BrN/c25-19-12-14-22-21-13-11-18(17-7-3-1-4-8-17)15-23(21)26(24(22)16-19)20-9-5-2-6-10-20/h1-16H/i2D,5D,6D,9D,10D,11D,12D,13D,14D,15D,16D
InChIKeyZRWIRHYLHIQKSD-KMBMLZHQSA-N
XLogP7.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177269978
2,7-dibromo-1,3,4,5,6,8-hexadeuterio-9-phenylcarbazole
CID 59500390
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172520020
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519891
1,2,3,4,5,6,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-[2,3,4,6-tetradeuterio-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 171437987
1,2,3,4,5,6,8-heptadeuterio-7-[1,2,4,5,6,7-hexadeuterio-9-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 177280510
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730
1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5,6,7,8-heptadeuterio-9H-carbazol-2-yl)-9-phenylcarbazole
CID 177280472
1,2,3,4,5,6,8-heptadeuterio-9-(4-deuteriophenyl)-7-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 167377854
1,2,3,4,5,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 172519979
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167377908
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(4-deuteriophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 172511986

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole?
The IUPAC name of 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole (CID 172519786) is 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole.
What is the SMILES notation for 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole?
The canonical SMILES for 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c(Br)c([2H])c([2H])c3c3c([2H])c([2H])c(-c4ccccc4)c([2H])c32)c([2H])c1[2H].
What is the InChIKey of 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole?
The InChIKey is ZRWIRHYLHIQKSD-KMBMLZHQSA-N. The full InChI is InChI=1S/C24H16BrN/c25-19-12-14-22-21-13-11-18(17-7-3-1-4-8-17)15-23(21)26(24(22)16-19)20-9-5-2-6-10-20/h1-16H/i2D,5D,6D,9D,10D,11D,12D,13D,14D,15D,16D.
What are the key properties of 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole?
2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole has a molecular weight of 409.37 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,5,6,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-7-phenylcarbazole is sourced from PubChem (CID 172519786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).