3-benzhydrylidene-5-phenyl-1-benzofuran

C27H20O — CID 71697721

IUPAC3-benzhydrylidene-5-phenyl-1-benzofuran
SMILESc1ccc(C(=C2COc3ccc(-c4ccccc4)cc32)c2ccccc2)cc1
InChIInChI=1S/C27H20O/c1-4-10-20(11-5-1)23-16-17-26-24(18-23)25(19-28-26)27(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,19H2
InChIKeyKRWMXLJDJXKTII-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.71
Rot. Bonds3

About 3-benzhydrylidene-5-phenyl-1-benzofuran

3-benzhydrylidene-5-phenyl-1-benzofuran (PubChem CID 71697721) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-benzhydrylidene-5-phenyl-1-benzofuran.

Molecular Properties

Compound Name3-benzhydrylidene-5-phenyl-1-benzofuran
PubChem CID71697721
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name3-benzhydrylidene-5-phenyl-1-benzofuran
SMILESc1ccc(C(=C2COc3ccc(-c4ccccc4)cc32)c2ccccc2)cc1
InChIInChI=1S/C27H20O/c1-4-10-20(11-5-1)23-16-17-26-24(18-23)25(19-28-26)27(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,19H2
InChIKeyKRWMXLJDJXKTII-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-2H-chromene-4-carboxylic acid
CID 82087891
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
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2-benzhydrylideneoxirane
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2,2,3-trimethyl-9-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 101338088
(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one
CID 102490296
10-[4-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-6H-benzo[c]chromene
CID 169281806
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014200
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
10,18-bis(6-phenylnaphthalen-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 122629635
2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169281799

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylidene-5-phenyl-1-benzofuran?
The IUPAC name of 3-benzhydrylidene-5-phenyl-1-benzofuran (CID 71697721) is 3-benzhydrylidene-5-phenyl-1-benzofuran.
What is the SMILES notation for 3-benzhydrylidene-5-phenyl-1-benzofuran?
The canonical SMILES for 3-benzhydrylidene-5-phenyl-1-benzofuran is c1ccc(C(=C2COc3ccc(-c4ccccc4)cc32)c2ccccc2)cc1.
What is the InChIKey of 3-benzhydrylidene-5-phenyl-1-benzofuran?
The InChIKey is KRWMXLJDJXKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c1-4-10-20(11-5-1)23-16-17-26-24(18-23)25(19-28-26)27(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,19H2.
What are the key properties of 3-benzhydrylidene-5-phenyl-1-benzofuran?
3-benzhydrylidene-5-phenyl-1-benzofuran has a molecular weight of 360.46 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylidene-5-phenyl-1-benzofuran is sourced from PubChem (CID 71697721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).