3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole

C24H14Br2ClN — CID 90370176

IUPAC3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole
SMILESClc1c(Br)ccc2c1c1cc(Br)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H14Br2ClN/c25-17-8-12-21-19(14-17)23-22(13-11-20(26)24(23)27)28(21)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-14H
InChIKeyQVXWMQIXGBCDAR-UHFFFAOYSA-N
MW511.64 g/mol
LogP8.63
Rot. Bonds2

About 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole

3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole (PubChem CID 90370176) has the molecular formula C24H14Br2ClN and a molecular weight of 511.64 g/mol. Its IUPAC name is 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole
PubChem CID90370176
Molecular FormulaC24H14Br2ClN
Molecular Weight511.64 g/mol
Exact Mass508.92
IUPAC Name3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole
SMILESClc1c(Br)ccc2c1c1cc(Br)ccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H14Br2ClN/c25-17-8-12-21-19(14-17)23-22(13-11-20(26)24(23)27)28(21)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-14H
InChIKeyQVXWMQIXGBCDAR-UHFFFAOYSA-N
XLogP8.63
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.64
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
CID 167358333
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
2,4-dibromo-9-(4-phenylphenyl)carbazole
CID 118508105
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
CID 143516126
17-[3-(4-bromophenyl)phenyl]-21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90175622
9,14-bis(4-phenylphenyl)-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;ethane
CID 177063537
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
9-bromo-2,6-diphenyl-[1,3]oxazolo[5,4-c]carbazole
CID 142725738
5-(4-bromophenyl)-9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 58050178
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole (CID 90370176) is 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole is Clc1c(Br)ccc2c1c1cc(Br)ccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole?
The InChIKey is QVXWMQIXGBCDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2ClN/c25-17-8-12-21-19(14-17)23-22(13-11-20(26)24(23)27)28(21)18-9-6-16(7-10-18)15-4-2-1-3-5-15/h1-14H.
What are the key properties of 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole?
3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole has a molecular weight of 511.64 g/mol, XLogP of 8.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-4-chloro-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 90370176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).