9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole

C34H27BrClN — CID 170563982

IUPAC9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1cc(-c3c(C)cccc3C)ccc1n2-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C34H27BrClN/c1-20-7-5-8-21(2)33(20)24-11-15-31-27(17-24)28-18-25(34-22(3)9-6-10-23(34)4)12-16-32(28)37(31)26-13-14-29(35)30(36)19-26/h5-19H,1-4H3
InChIKeyYOYMNQBHBDGFIT-UHFFFAOYSA-N
MW564.95 g/mol
LogP10.77
Rot. Bonds3

About 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole

9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole (PubChem CID 170563982) has the molecular formula C34H27BrClN and a molecular weight of 564.95 g/mol. Its IUPAC name is 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole
PubChem CID170563982
Molecular FormulaC34H27BrClN
Molecular Weight564.95 g/mol
Exact Mass563.10
IUPAC Name9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1cc(-c3c(C)cccc3C)ccc1n2-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C34H27BrClN/c1-20-7-5-8-21(2)33(20)24-11-15-31-27(17-24)28-18-25(34-22(3)9-6-10-23(34)4)12-16-32(28)37(31)26-13-14-29(35)30(36)19-26/h5-19H,1-4H3
InChIKeyYOYMNQBHBDGFIT-UHFFFAOYSA-N
XLogP10.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.95
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
CID 166084545
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 164756576
7-(3-bromo-2,5-dichlorophenyl)-5,10-bis(2,6-dimethylphenyl)benzo[c]carbazole
CID 166084567
9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
CID 167358333
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 89027796
3-carbazol-9-yl-6-(2,4,6-trimethylphenyl)-9H-carbazole
CID 146281218
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152543561
2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline
CID 142745279
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole?
The IUPAC name of 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole (CID 170563982) is 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole.
What is the SMILES notation for 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole?
The canonical SMILES for 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole is Cc1cccc(C)c1-c1ccc2c(c1)c1cc(-c3c(C)cccc3C)ccc1n2-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole?
The InChIKey is YOYMNQBHBDGFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27BrClN/c1-20-7-5-8-21(2)33(20)24-11-15-31-27(17-24)28-18-25(34-22(3)9-6-10-23(34)4)12-16-32(28)37(31)26-13-14-29(35)30(36)19-26/h5-19H,1-4H3.
What are the key properties of 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole?
9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole has a molecular weight of 564.95 g/mol, XLogP of 10.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole is sourced from PubChem (CID 170563982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).