9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole

C20H19N — CID 123432152

IUPAC9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
SMILESCCC1C=CC(n2c3ccccc3c3ccccc32)=CC1
InChIInChI=1S/C20H19N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-11,13-15H,2,12H2,1H3
InChIKeyPFYWRDWCOMNYIP-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.62
Rot. Bonds2

About 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole

9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole (PubChem CID 123432152) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole.

Molecular Properties

Compound Name9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
PubChem CID123432152
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
SMILESCCC1C=CC(n2c3ccccc3c3ccccc32)=CC1
InChIInChI=1S/C20H19N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-11,13-15H,2,12H2,1H3
InChIKeyPFYWRDWCOMNYIP-UHFFFAOYSA-N
XLogP5.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole
CID 144782323
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
9-(3-carbazol-9-yl-6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 143793752
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
CID 126727435
N-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]cyclohexa-2,4-dien-1-yl]-N-methylaniline
CID 163918631
12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 139539060
N-[(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)methylidene]-N'-[(4-carbazol-9-ylphenyl)methyl]-4-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzenecarboximidamide
CID 143485846
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
9-(6-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 152848775

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole?
The IUPAC name of 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole (CID 123432152) is 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole.
What is the SMILES notation for 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole?
The canonical SMILES for 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole is CCC1C=CC(n2c3ccccc3c3ccccc32)=CC1.
What is the InChIKey of 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole?
The InChIKey is PFYWRDWCOMNYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-11,13-15H,2,12H2,1H3.
What are the key properties of 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole?
9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole has a molecular weight of 273.38 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole is sourced from PubChem (CID 123432152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).