2,7-bis(2,2-diphenylethenyl)fluoren-9-one

C41H28O — CID 86012189

IUPAC2,7-bis(2,2-diphenylethenyl)fluoren-9-one
SMILESO=C1c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C41H28O/c42-41-39-27-29(25-37(31-13-5-1-6-14-31)32-15-7-2-8-16-32)21-23-35(39)36-24-22-30(28-40(36)41)26-38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeySFRJICTVNVDIRY-UHFFFAOYSA-N
MW536.67 g/mol
LogP10.08
Rot. Bonds6

About 2,7-bis(2,2-diphenylethenyl)fluoren-9-one

2,7-bis(2,2-diphenylethenyl)fluoren-9-one (PubChem CID 86012189) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 2,7-bis(2,2-diphenylethenyl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(2,2-diphenylethenyl)fluoren-9-one
PubChem CID86012189
Molecular FormulaC41H28O
Molecular Weight536.67 g/mol
Exact Mass536.21
IUPAC Name2,7-bis(2,2-diphenylethenyl)fluoren-9-one
SMILESO=C1c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C41H28O/c42-41-39-27-29(25-37(31-13-5-1-6-14-31)32-15-7-2-8-16-32)21-23-35(39)36-24-22-30(28-40(36)41)26-38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeySFRJICTVNVDIRY-UHFFFAOYSA-N
XLogP10.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-bis(2,2-diphenylethenyl)fluoren-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
(E)-3-(9,10-dioxoanthracen-2-yl)-2-phenylprop-2-enoate
CID 7324714
2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
2-(2,2-diphenylethenyl)anthracene
CID 155667641
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
CID 173126547
CID 173126547
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-4-(1,1-diphenylprop-1-en-2-yl)-2-methylbenzene
CID 154545119
CID 172843956
CID 172843956
1-(2,2-diphenylethenyl)-4-[tris[4-(2,2-diphenylethenyl)phenyl]methyl]benzene
CID 23400804
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2,2-diphenylethenyl)fluoren-9-one?
The IUPAC name of 2,7-bis(2,2-diphenylethenyl)fluoren-9-one (CID 86012189) is 2,7-bis(2,2-diphenylethenyl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(2,2-diphenylethenyl)fluoren-9-one?
The canonical SMILES for 2,7-bis(2,2-diphenylethenyl)fluoren-9-one is O=C1c2cc(C=C(c3ccccc3)c3ccccc3)ccc2-c2ccc(C=C(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2,7-bis(2,2-diphenylethenyl)fluoren-9-one?
The InChIKey is SFRJICTVNVDIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c42-41-39-27-29(25-37(31-13-5-1-6-14-31)32-15-7-2-8-16-32)21-23-35(39)36-24-22-30(28-40(36)41)26-38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H.
What are the key properties of 2,7-bis(2,2-diphenylethenyl)fluoren-9-one?
2,7-bis(2,2-diphenylethenyl)fluoren-9-one has a molecular weight of 536.67 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2,2-diphenylethenyl)fluoren-9-one is sourced from PubChem (CID 86012189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).