2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one

C37H26O — CID 129170615

IUPAC2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
SMILESO=C1c2cc(-c3ccccc3C3=CCCC=C3)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C37H26O/c38-37-35-23-27(31-17-9-7-15-29(31)25-11-3-1-4-12-25)19-21-33(35)34-22-20-28(24-36(34)37)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1,3-5,7-24H,2,6H2
InChIKeyCCFWGOOWDDSILE-UHFFFAOYSA-N
MW486.61 g/mol
LogP9.63
Rot. Bonds4

About 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one

2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one (PubChem CID 129170615) has the molecular formula C37H26O and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
PubChem CID129170615
Molecular FormulaC37H26O
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one
SMILESO=C1c2cc(-c3ccccc3C3=CCCC=C3)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C37H26O/c38-37-35-23-27(31-17-9-7-15-29(31)25-11-3-1-4-12-25)19-21-33(35)34-22-20-28(24-36(34)37)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1,3-5,7-24H,2,6H2
InChIKeyCCFWGOOWDDSILE-UHFFFAOYSA-N
XLogP9.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
10-methylidene-2-(2-phenylphenyl)anthracen-9-one
CID 90334807
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-(9-oxofluoren-2-yl)fluoren-9-one
CID 86119721
(4-cyclohexa-1,5-dien-1-ylphenyl)-phenylmethanone;ethane;2-methoxyanthracene-9,10-dione
CID 143903555
10,10-di(cyclohexa-1,5-dien-1-yl)-2,7-bis(3,5-diphenylphenyl)anthracen-9-one
CID 123829053
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
2,3-diphenylfluoren-9-one
CID 102493574

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one (CID 129170615) is 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one is O=C1c2cc(-c3ccccc3C3=CCCC=C3)ccc2-c2ccc(-c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one?
The InChIKey is CCFWGOOWDDSILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O/c38-37-35-23-27(31-17-9-7-15-29(31)25-11-3-1-4-12-25)19-21-33(35)34-22-20-28(24-36(34)37)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1,3-5,7-24H,2,6H2.
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one?
2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one has a molecular weight of 486.61 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-ylphenyl)-7-(2-phenylphenyl)fluoren-9-one is sourced from PubChem (CID 129170615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).