3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole

C25H21NO — CID 166988175

IUPAC3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole
SMILESCOc1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1C1=CCCC=C1
InChIInChI=1S/C25H21NO/c1-27-25-14-12-19(15-21(25)17-7-3-2-4-8-17)18-11-13-24-22(16-18)20-9-5-6-10-23(20)26-24/h3,5-16,26H,2,4H2,1H3
InChIKeyUVADUTZYWHONTC-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.73
Rot. Bonds3

About 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole

3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole (PubChem CID 166988175) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole.

Molecular Properties

Compound Name3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole
PubChem CID166988175
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole
SMILESCOc1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1C1=CCCC=C1
InChIInChI=1S/C25H21NO/c1-27-25-14-12-19(15-21(25)17-7-3-2-4-8-17)18-11-13-24-22(16-18)20-9-5-6-10-23(20)26-24/h3,5-16,26H,2,4H2,1H3
InChIKeyUVADUTZYWHONTC-UHFFFAOYSA-N
XLogP6.73
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-2-methoxybenzene
CID 18770062
2-cyclohexa-1,5-dien-1-yl-1-methoxy-4-(trifluoromethyl)benzene
CID 142950707
3-(9H-carbazol-3-yl)-9-[2-(2-methoxyphenyl)propan-2-yl]carbazole
CID 170137871
2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
CID 135143516
3-cyclohepta-1,3,6-trien-1-yl-9H-carbazole
CID 155130317
2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
CID 25011613
2-(3-cyclohepta-2,5-dien-1-yl-5-cyclohexa-1,5-dien-1-ylphenyl)-9H-carbazole
CID 135143803
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
2-triphenylen-2-yl-9H-carbazole
CID 118922949
1-methoxy-5,7-dihydroindolo[2,3-b]carbazole
CID 141287625
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole?
The IUPAC name of 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole (CID 166988175) is 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole.
What is the SMILES notation for 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole?
The canonical SMILES for 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole is COc1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1C1=CCCC=C1.
What is the InChIKey of 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole?
The InChIKey is UVADUTZYWHONTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-27-25-14-12-19(15-21(25)17-7-3-2-4-8-17)18-11-13-24-22(16-18)20-9-5-6-10-23(20)26-24/h3,5-16,26H,2,4H2,1H3.
What are the key properties of 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole?
3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole has a molecular weight of 351.45 g/mol, XLogP of 6.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexa-1,5-dien-1-yl-4-methoxyphenyl)-9H-carbazole is sourced from PubChem (CID 166988175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).