4-(2,2-diphenylethenyl)-3-phenylchromen-2-one

C29H20O2 — CID 132820910

IUPAC4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(C=C(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H20O2/c30-29-28(23-16-8-3-9-17-23)26(24-18-10-11-19-27(24)31-29)20-25(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-20H
InChIKeyUKNGTQHWIBQZES-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.05
Rot. Bonds4

About 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one

4-(2,2-diphenylethenyl)-3-phenylchromen-2-one (PubChem CID 132820910) has the molecular formula C29H20O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
PubChem CID132820910
Molecular FormulaC29H20O2
Molecular Weight400.48 g/mol
Exact Mass400.15
IUPAC Name4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(C=C(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H20O2/c30-29-28(23-16-8-3-9-17-23)26(24-18-10-11-19-27(24)31-29)20-25(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-20H
InChIKeyUKNGTQHWIBQZES-UHFFFAOYSA-N
XLogP7.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzoyl-4-phenylchromen-2-one
CID 629843
4-amino-3-phenylchromen-2-one
CID 617040
3-ethenyl-4-phenylchromen-2-one
CID 24787269
9-(2,2-diphenylethenyl)-10-[4-[10-(2,2-diphenylethenyl)anthracen-9-yl]phenyl]anthracene
CID 18335711
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
3-acetyl-4-phenylchromen-2-one
CID 56965161
4-anilino-3-phenylchromen-2-one
CID 2785512
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167
2-benzoyl-3-methyl-6-phenyl-5-[(E)-2-phenylethenyl]furo[3,2-g]chromen-7-one
CID 10790956
9,10-bis[4-(2,2-diphenylethenyl)phenyl]anthracene
CID 3380793
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one?
The IUPAC name of 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one (CID 132820910) is 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one.
What is the SMILES notation for 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one?
The canonical SMILES for 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one is O=c1oc2ccccc2c(C=C(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one?
The InChIKey is UKNGTQHWIBQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O2/c30-29-28(23-16-8-3-9-17-23)26(24-18-10-11-19-27(24)31-29)20-25(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-20H.
What are the key properties of 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one?
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one has a molecular weight of 400.48 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diphenylethenyl)-3-phenylchromen-2-one is sourced from PubChem (CID 132820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).