2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole

C30H25N — CID 142377788

IUPAC2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole
SMILESC1=CCC(c2cc(-c3ccccc3)cc(C3C=Cc4c([nH]c5ccccc45)C3)c2)C=C1
InChIInChI=1S/C30H25N/c1-3-9-21(10-4-1)24-17-25(22-11-5-2-6-12-22)19-26(18-24)23-15-16-28-27-13-7-8-14-29(27)31-30(28)20-23/h1-11,13-19,22-23,31H,12,20H2
InChIKeyHVULBAYQLLJXHF-UHFFFAOYSA-N
MW399.54 g/mol
LogP7.79
Rot. Bonds3

About 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole

2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole (PubChem CID 142377788) has the molecular formula C30H25N and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole.

Molecular Properties

Compound Name2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole
PubChem CID142377788
Molecular FormulaC30H25N
Molecular Weight399.54 g/mol
Exact Mass399.20
IUPAC Name2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole
SMILESC1=CCC(c2cc(-c3ccccc3)cc(C3C=Cc4c([nH]c5ccccc45)C3)c2)C=C1
InChIInChI=1S/C30H25N/c1-3-9-21(10-4-1)24-17-25(22-11-5-2-6-12-22)19-26(18-24)23-15-16-28-27-13-7-8-14-29(27)31-30(28)20-23/h1-11,13-19,22-23,31H,12,20H2
InChIKeyHVULBAYQLLJXHF-UHFFFAOYSA-N
XLogP7.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-9H-carbazole
CID 135143516
2,9-dihydro-1H-carbazol-2-ol
CID 146709603
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
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
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
2-cyclohexa-2,4-dien-1-yl-1H-indole
CID 67925862
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4-phenylphenyl)-6-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 154987166
2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 123388319
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71059027

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole?
The IUPAC name of 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole (CID 142377788) is 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole.
What is the SMILES notation for 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole?
The canonical SMILES for 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole is C1=CCC(c2cc(-c3ccccc3)cc(C3C=Cc4c([nH]c5ccccc45)C3)c2)C=C1.
What is the InChIKey of 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole?
The InChIKey is HVULBAYQLLJXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N/c1-3-9-21(10-4-1)24-17-25(22-11-5-2-6-12-22)19-26(18-24)23-15-16-28-27-13-7-8-14-29(27)31-30(28)20-23/h1-11,13-19,22-23,31H,12,20H2.
What are the key properties of 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole?
2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole has a molecular weight of 399.54 g/mol, XLogP of 7.79, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-2,9-dihydro-1H-carbazole is sourced from PubChem (CID 142377788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).