9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole

C41H34ClN — CID 166084545

IUPAC9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
SMILESCc1ccccc1-c1ccc(-n2c3ccc(-c4c(C)cccc4C)cc3c3cc(-c4c(C)cccc4C)ccc32)cc1Cl
InChIInChI=1S/C41H34ClN/c1-25-10-6-7-15-33(25)34-19-18-32(24-37(34)42)43-38-20-16-30(40-26(2)11-8-12-27(40)3)22-35(38)36-23-31(17-21-39(36)43)41-28(4)13-9-14-29(41)5/h6-24H,1-5H3
InChIKeyFGAZYVYCNNAFHI-UHFFFAOYSA-N
MW576.18 g/mol
LogP11.98
Rot. Bonds4

About 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole

9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole (PubChem CID 166084545) has the molecular formula C41H34ClN and a molecular weight of 576.18 g/mol. Its IUPAC name is 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
PubChem CID166084545
Molecular FormulaC41H34ClN
Molecular Weight576.18 g/mol
Exact Mass575.24
IUPAC Name9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole
SMILESCc1ccccc1-c1ccc(-n2c3ccc(-c4c(C)cccc4C)cc3c3cc(-c4c(C)cccc4C)ccc32)cc1Cl
InChIInChI=1S/C41H34ClN/c1-25-10-6-7-15-33(25)34-19-18-32(24-37(34)42)43-38-20-16-30(40-26(2)11-8-12-27(40)3)22-35(38)36-23-31(17-21-39(36)43)41-28(4)13-9-14-29(41)5/h6-24H,1-5H3
InChIKeyFGAZYVYCNNAFHI-UHFFFAOYSA-N
XLogP11.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.18
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-bromo-3-chlorophenyl)-3,6-bis(2,6-dimethylphenyl)carbazole
CID 170563982
9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
CID 144907309
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
4-[8-[4-[3,6-bis(8-phenylnaphthalen-1-yl)carbazol-9-yl]-2-methylphenyl]naphthalen-1-yl]-3-methylaniline
CID 122694647
2-chloro-6-(9-naphthalen-2-ylcarbazol-3-yl)aniline
CID 142745279
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
3-[2-butan-2-yl-3-(2-methylphenyl)phenyl]-9-triphenylen-2-ylcarbazole
CID 144803336
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 145064061
9-dibenzofuran-2-yl-3-[4-methyl-3,5-bis(2-methylphenyl)phenyl]carbazole
CID 156734886
[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 89027796

Frequently Asked Questions

What is the IUPAC name of 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole?
The IUPAC name of 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole (CID 166084545) is 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole?
The canonical SMILES for 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole is Cc1ccccc1-c1ccc(-n2c3ccc(-c4c(C)cccc4C)cc3c3cc(-c4c(C)cccc4C)ccc32)cc1Cl.
What is the InChIKey of 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole?
The InChIKey is FGAZYVYCNNAFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34ClN/c1-25-10-6-7-15-33(25)34-19-18-32(24-37(34)42)43-38-20-16-30(40-26(2)11-8-12-27(40)3)22-35(38)36-23-31(17-21-39(36)43)41-28(4)13-9-14-29(41)5/h6-24H,1-5H3.
What are the key properties of 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole?
9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole has a molecular weight of 576.18 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-chloro-4-(2-methylphenyl)phenyl]-3,6-bis(2,6-dimethylphenyl)carbazole is sourced from PubChem (CID 166084545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).