(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone

C30H22O2 — CID 132567633

IUPAC(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)oc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22O2/c31-29(24-17-9-3-10-18-24)28-27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)32-30(28)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyBDNRKYRWBRGKOR-UHFFFAOYSA-N
MW414.50 g/mol
LogP7.44
Rot. Bonds6

About (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone

(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone (PubChem CID 132567633) has the molecular formula C30H22O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
PubChem CID132567633
Molecular FormulaC30H22O2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)oc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22O2/c31-29(24-17-9-3-10-18-24)28-27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)32-30(28)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyBDNRKYRWBRGKOR-UHFFFAOYSA-N
XLogP7.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,4,5-triphenylfuran-3-carboxamide
CID 132516883
(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
CID 13147310
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514
(5-benzyl-1,4,6-triphenyl-2-sulfanylidene-3-pyridinyl)-phenylmethanone
CID 4128472
2-benzyl-5-phenyl-3,4-dipropylfuran
CID 102050941
3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
CID 122379715
(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
CID 134835808
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
CID 13010524
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
[4-(2,2-diphenylethenyl)-5-methyl-2-phenylfuran-3-yl]-phenylmethanone
CID 71489456
(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
CID 175684502

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone?
The IUPAC name of (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone (CID 132567633) is (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone.
What is the SMILES notation for (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone?
The canonical SMILES for (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone is O=C(c1ccccc1)c1c(-c2ccccc2)oc(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone?
The InChIKey is BDNRKYRWBRGKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O2/c31-29(24-17-9-3-10-18-24)28-27(23-15-7-2-8-16-23)26(21-22-13-5-1-6-14-22)32-30(28)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone?
(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone has a molecular weight of 414.50 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone is sourced from PubChem (CID 132567633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).