1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone

C37H30O — CID 123749941

IUPAC1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone
SMILESC=C(Cc1ccccc1C(C)=O)c1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H30O/c1-25-16-20-30(21-17-25)37(35-14-8-6-12-33(35)34-13-7-9-15-36(34)37)31-22-18-28(19-23-31)26(2)24-29-10-4-5-11-32(29)27(3)38/h4-23H,2,24H2,1,3H3
InChIKeyQSVMJWKJNCFLDD-UHFFFAOYSA-N
MW490.65 g/mol
LogP8.82
Rot. Bonds6

About 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone

1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone (PubChem CID 123749941) has the molecular formula C37H30O and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone
PubChem CID123749941
Molecular FormulaC37H30O
Molecular Weight490.65 g/mol
Exact Mass490.23
IUPAC Name1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone
SMILESC=C(Cc1ccccc1C(C)=O)c1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H30O/c1-25-16-20-30(21-17-25)37(35-14-8-6-12-33(35)34-13-7-9-15-36(34)37)31-22-18-28(19-23-31)26(2)24-29-10-4-5-11-32(29)27(3)38/h4-23H,2,24H2,1,3H3
InChIKeyQSVMJWKJNCFLDD-UHFFFAOYSA-N
XLogP8.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone with MolForge

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Related Compounds

9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide
CID 123463090
1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one
CID 159769253
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 159463242
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
CID 134964621
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
3-[4-[9-[4-(2,3-dicarboxyphenyl)phenyl]fluoren-9-yl]phenyl]phthalic acid
CID 174656697
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone (CID 123749941) is 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone is C=C(Cc1ccccc1C(C)=O)c1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone?
The InChIKey is QSVMJWKJNCFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O/c1-25-16-20-30(21-17-25)37(35-14-8-6-12-33(35)34-13-7-9-15-36(34)37)31-22-18-28(19-23-31)26(2)24-29-10-4-5-11-32(29)27(3)38/h4-23H,2,24H2,1,3H3.
What are the key properties of 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone?
1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone has a molecular weight of 490.65 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone is sourced from PubChem (CID 123749941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).