3,5,6-triphenylchromen-2-one

C27H18O2 — CID 71411258

IUPAC3,5,6-triphenylchromen-2-one
SMILESO=c1oc2ccc(-c3ccccc3)c(-c3ccccc3)c2cc1-c1ccccc1
InChIInChI=1S/C27H18O2/c28-27-23(20-12-6-2-7-13-20)18-24-25(29-27)17-16-22(19-10-4-1-5-11-19)26(24)21-14-8-3-9-15-21/h1-18H
InChIKeyQWXWLIVOSKKEBS-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.79
Rot. Bonds3

About 3,5,6-triphenylchromen-2-one

3,5,6-triphenylchromen-2-one (PubChem CID 71411258) has the molecular formula C27H18O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,5,6-triphenylchromen-2-one.

Molecular Properties

Compound Name3,5,6-triphenylchromen-2-one
PubChem CID71411258
Molecular FormulaC27H18O2
Molecular Weight374.44 g/mol
Exact Mass374.13
IUPAC Name3,5,6-triphenylchromen-2-one
SMILESO=c1oc2ccc(-c3ccccc3)c(-c3ccccc3)c2cc1-c1ccccc1
InChIInChI=1S/C27H18O2/c28-27-23(20-12-6-2-7-13-20)18-24-25(29-27)17-16-22(19-10-4-1-5-11-19)26(24)21-14-8-3-9-15-21/h1-18H
InChIKeyQWXWLIVOSKKEBS-UHFFFAOYSA-N
XLogP6.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.79
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

2-(4-anthracen-9-ylphenyl)benzo[f]chromen-3-one
CID 102171378
3-phenylchromen-2-one;hydrochloride
CID 141206894
2-(4-hydroxyphenyl)benzo[f]chromen-3-one
CID 102366848
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
11-phenyl-4,9-dioxatricyclo[5.3.2.02,6]dodeca-1(11),2(6),7(12)-triene-3,5,8,10-tetrone
CID 56611654
4-amino-3-phenylchromen-2-one
CID 617040
6-bromo-4-phenyl-3-phenylselanylchromen-2-one
CID 164684629
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
2,3-diphenyldibenzofuran
CID 12699263
3,4-dihydroxy-6-phenylchromen-2-one
CID 54690428
8-methyl-2-[3-[3-(8-methyl-3-oxobenzo[f]chromen-2-yl)phenyl]phenyl]benzo[f]chromen-3-one
CID 142252672

Frequently Asked Questions

What is the IUPAC name of 3,5,6-triphenylchromen-2-one?
The IUPAC name of 3,5,6-triphenylchromen-2-one (CID 71411258) is 3,5,6-triphenylchromen-2-one.
What is the SMILES notation for 3,5,6-triphenylchromen-2-one?
The canonical SMILES for 3,5,6-triphenylchromen-2-one is O=c1oc2ccc(-c3ccccc3)c(-c3ccccc3)c2cc1-c1ccccc1.
What is the InChIKey of 3,5,6-triphenylchromen-2-one?
The InChIKey is QWXWLIVOSKKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O2/c28-27-23(20-12-6-2-7-13-20)18-24-25(29-27)17-16-22(19-10-4-1-5-11-19)26(24)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 3,5,6-triphenylchromen-2-one?
3,5,6-triphenylchromen-2-one has a molecular weight of 374.44 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-triphenylchromen-2-one is sourced from PubChem (CID 71411258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).