9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone

C33H25NO — CID 162206940

IUPAC9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1C=Cc1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C21H16O.C12H9N/c22-21(19-12-5-2-6-13-19)20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-16H;1-8,13H
InChIKeyZSHXKIPVPRAFPP-UHFFFAOYSA-N
MW451.57 g/mol
LogP8.41
Rot. Bonds4

About 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone

9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone (PubChem CID 162206940) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone.

Molecular Properties

Compound Name9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
PubChem CID162206940
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC Name9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1C=Cc1ccccc1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C21H16O.C12H9N/c22-21(19-12-5-2-6-13-19)20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-16H;1-8,13H
InChIKeyZSHXKIPVPRAFPP-UHFFFAOYSA-N
XLogP8.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027
benzoic acid;9H-carbazole
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9H-carbazole;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
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9H-carbazole;carbonic acid
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3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one
CID 155809362
(E)-4-(2-benzoylphenyl)but-3-en-2-one
CID 135039520
2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
CID 67279232
(3-ethenyl-1H-indol-2-yl)-phenylmethanone
CID 102499335
[2-(3-methylbuta-1,3-dienyl)phenyl]-phenylmethanone
CID 173151442
3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 162395799

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone?
The IUPAC name of 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone (CID 162206940) is 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone.
What is the SMILES notation for 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone?
The canonical SMILES for 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone is O=C(c1ccccc1)c1ccccc1C=Cc1ccccc1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone?
The InChIKey is ZSHXKIPVPRAFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O.C12H9N/c22-21(19-12-5-2-6-13-19)20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-16H;1-8,13H.
What are the key properties of 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone?
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone has a molecular weight of 451.57 g/mol, XLogP of 8.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone is sourced from PubChem (CID 162206940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).