2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole

C19H17N — CID 167223460

IUPAC2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole
SMILESCC1C=CC(c2ccc3c(c2)[nH]c2ccccc23)=CC1
InChIInChI=1S/C19H17N/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20-19(17)12-15/h2-6,8-13,20H,7H2,1H3
InChIKeyYXLMPUUKLOBONB-UHFFFAOYSA-N
MW259.35 g/mol
LogP5.30
Rot. Bonds1

About 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole

2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole (PubChem CID 167223460) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole
PubChem CID167223460
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole
SMILESCC1C=CC(c2ccc3c(c2)[nH]c2ccccc23)=CC1
InChIInChI=1S/C19H17N/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20-19(17)12-15/h2-6,8-13,20H,7H2,1H3
InChIKeyYXLMPUUKLOBONB-UHFFFAOYSA-N
XLogP5.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486
2-triphenylen-2-yl-9H-carbazole
CID 118922949
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
CID 135143516
3-[2,8-bis(4-methylphenyl)dibenzothiophen-4-yl]-6-[2-(4-methylcyclohexa-1,5-dien-1-yl)-8-(4-methylphenyl)dibenzothiophen-4-yl]-9H-carbazole
CID 123449890
[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]methanamine
CID 143064317
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole
CID 135143803
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
2-pyridin-3-yl-9H-carbazole
CID 175799429
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole?
The IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole (CID 167223460) is 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole.
What is the SMILES notation for 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole?
The canonical SMILES for 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole is CC1C=CC(c2ccc3c(c2)[nH]c2ccccc23)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole?
The InChIKey is YXLMPUUKLOBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-13-6-8-14(9-7-13)15-10-11-17-16-4-2-3-5-18(16)20-19(17)12-15/h2-6,8-13,20H,7H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole?
2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole has a molecular weight of 259.35 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole is sourced from PubChem (CID 167223460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).