4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole

C24H16BrN — CID 177270012

IUPAC4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(Br)c([2H])c([2H])c([2H])c1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN/c25-21-10-6-12-23-24(21)20-9-4-5-11-22(20)26(23)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H/i4D,5D,6D,9D,10D,11D,12D
InChIKeyFLJIUHXTHRBFDN-NQJWYGBVSA-N
MW405.35 g/mol
LogP7.21
Rot. Bonds2

About 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole

4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole (PubChem CID 177270012) has the molecular formula C24H16BrN and a molecular weight of 405.35 g/mol. Its IUPAC name is 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
PubChem CID177270012
Molecular FormulaC24H16BrN
Molecular Weight405.35 g/mol
Exact Mass404.09
IUPAC Name4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(Br)c([2H])c([2H])c([2H])c1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H16BrN/c25-21-10-6-12-23-24(21)20-9-4-5-11-22(20)26(23)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H/i4D,5D,6D,9D,10D,11D,12D
InChIKeyFLJIUHXTHRBFDN-NQJWYGBVSA-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 ≤ 500405.35
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenylphenyl)-14-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414543
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176851608
1,2,3,4,5,6,7,8-octadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-[1,2,5,6,7,8-hexadeuterio-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 170659782
2-bromo-1,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole
CID 177269978
4,5,6,7,11,12,16,18,19-nonadeuterio-9-(4-phenylphenyl)-14-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414467
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
1,2,3,4,5,7,8-heptadeuterio-9-[1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-4-yl]-6-(2,4,5,6,7,8-hexadeuterio-9-phenylcarbazol-3-yl)carbazole
CID 177269997
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]carbazole
CID 170660053
1,2,3,4,6,7,8-heptadeuterio-5-(1,2,4,5,6,7,8-heptadeuterio-9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 177280481
4,5,6,7,11,12,16,17,18-nonadeuterio-14-[4-(4-deuteriophenyl)phenyl]-9-triphenylen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170543966
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
4,5,6,7,11,12,16,17,18-nonadeuterio-9-[2-deuterio-3-(3-deuteriophenyl)phenyl]-14-[3-deuterio-4-(3-deuteriophenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 171414455

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The IUPAC name of 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole (CID 177270012) is 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(Br)c([2H])c([2H])c([2H])c1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
The InChIKey is FLJIUHXTHRBFDN-NQJWYGBVSA-N. The full InChI is InChI=1S/C24H16BrN/c25-21-10-6-12-23-24(21)20-9-4-5-11-22(20)26(23)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H/i4D,5D,6D,9D,10D,11D,12D.
What are the key properties of 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole?
4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole has a molecular weight of 405.35 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 4-bromo-1,2,3,5,6,7,8-heptadeuterio-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 177270012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).