3,6-bis(3,5-dimethylphenyl)-9H-carbazole

C28H25N — CID 58518468

IUPAC3,6-bis(3,5-dimethylphenyl)-9H-carbazole
SMILESCc1cc(C)cc(-c2ccc3[nH]c4ccc(-c5cc(C)cc(C)c5)cc4c3c2)c1
InChIInChI=1S/C28H25N/c1-17-9-18(2)12-23(11-17)21-5-7-27-25(15-21)26-16-22(6-8-28(26)29-27)24-13-19(3)10-20(4)14-24/h5-16,29H,1-4H3
InChIKeyGSBRWESIDSUDBR-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.89
Rot. Bonds2

About 3,6-bis(3,5-dimethylphenyl)-9H-carbazole

3,6-bis(3,5-dimethylphenyl)-9H-carbazole (PubChem CID 58518468) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 3,6-bis(3,5-dimethylphenyl)-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(3,5-dimethylphenyl)-9H-carbazole
PubChem CID58518468
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name3,6-bis(3,5-dimethylphenyl)-9H-carbazole
SMILESCc1cc(C)cc(-c2ccc3[nH]c4ccc(-c5cc(C)cc(C)c5)cc4c3c2)c1
InChIInChI=1S/C28H25N/c1-17-9-18(2)12-23(11-17)21-5-7-27-25(15-21)26-16-22(6-8-28(26)29-27)24-13-19(3)10-20(4)14-24/h5-16,29H,1-4H3
InChIKeyGSBRWESIDSUDBR-UHFFFAOYSA-N
XLogP7.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
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3,6-bis(3,5-ditert-butylphenyl)-9H-carbazole
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3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
3,6-dimethyl-9H-carbazole
CID 144942624
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9H-carbazole
CID 175519372
2,7-bis(3,5-dimethylphenyl)triphenylene
CID 58219988
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole
CID 175035545
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-dimethylphenyl)-9H-carbazole?
The IUPAC name of 3,6-bis(3,5-dimethylphenyl)-9H-carbazole (CID 58518468) is 3,6-bis(3,5-dimethylphenyl)-9H-carbazole.
What is the SMILES notation for 3,6-bis(3,5-dimethylphenyl)-9H-carbazole?
The canonical SMILES for 3,6-bis(3,5-dimethylphenyl)-9H-carbazole is Cc1cc(C)cc(-c2ccc3[nH]c4ccc(-c5cc(C)cc(C)c5)cc4c3c2)c1.
What is the InChIKey of 3,6-bis(3,5-dimethylphenyl)-9H-carbazole?
The InChIKey is GSBRWESIDSUDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-17-9-18(2)12-23(11-17)21-5-7-27-25(15-21)26-16-22(6-8-28(26)29-27)24-13-19(3)10-20(4)14-24/h5-16,29H,1-4H3.
What are the key properties of 3,6-bis(3,5-dimethylphenyl)-9H-carbazole?
3,6-bis(3,5-dimethylphenyl)-9H-carbazole has a molecular weight of 375.52 g/mol, XLogP of 7.89, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-dimethylphenyl)-9H-carbazole is sourced from PubChem (CID 58518468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).