2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole

C25H21NO — CID 174281541

IUPAC2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole
SMILESCOc1cccc2c1c1ccc(C3C=CC=CC3)cc1n2-c1ccccc1
InChIInChI=1S/C25H21NO/c1-27-24-14-8-13-22-25(24)21-16-15-19(18-9-4-2-5-10-18)17-23(21)26(22)20-11-6-3-7-12-20/h2-9,11-18H,10H2,1H3
InChIKeyDERMJOMNWUMXDN-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.39
Rot. Bonds3

About 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole

2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole (PubChem CID 174281541) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole
PubChem CID174281541
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole
SMILESCOc1cccc2c1c1ccc(C3C=CC=CC3)cc1n2-c1ccccc1
InChIInChI=1S/C25H21NO/c1-27-24-14-8-13-22-25(24)21-16-15-19(18-9-4-2-5-10-18)17-23(21)26(22)20-11-6-3-7-12-20/h2-9,11-18H,10H2,1H3
InChIKeyDERMJOMNWUMXDN-UHFFFAOYSA-N
XLogP6.39
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
5-methoxy-2,9-diphenylcarbazole
CID 174281532
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
5-(2-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 170285798
3-(4-bromophenyl)-9-(4-cyclohexa-2,4-dien-1-ylphenyl)carbazole
CID 123198502
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
3-cyclohexa-2,4-dien-1-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]aniline
CID 166659713

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole (CID 174281541) is 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole is COc1cccc2c1c1ccc(C3C=CC=CC3)cc1n2-c1ccccc1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole?
The InChIKey is DERMJOMNWUMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-27-24-14-8-13-22-25(24)21-16-15-19(18-9-4-2-5-10-18)17-23(21)26(22)20-11-6-3-7-12-20/h2-9,11-18H,10H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole?
2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole has a molecular weight of 351.45 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-5-methoxy-9-phenylcarbazole is sourced from PubChem (CID 174281541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).