2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one

C30H18O4 — CID 11962186

IUPAC2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(-c3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12
InChIInChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
InChIKeyHTPYEYLGDZAIRX-UHFFFAOYSA-N
MW442.47 g/mol
LogP6.90
Rot. Bonds3

About 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one

2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one (PubChem CID 11962186) has the molecular formula C30H18O4 and a molecular weight of 442.47 g/mol. Its IUPAC name is 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one
PubChem CID11962186
Molecular FormulaC30H18O4
Molecular Weight442.47 g/mol
Exact Mass442.12
IUPAC Name2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(-c3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12
InChIInChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
InChIKeyHTPYEYLGDZAIRX-UHFFFAOYSA-N
XLogP6.90
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one?
The IUPAC name of 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one (CID 11962186) is 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one?
The canonical SMILES for 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one is O=c1cc(-c2ccc(-c3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one?
The InChIKey is HTPYEYLGDZAIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H.
What are the key properties of 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one?
2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one has a molecular weight of 442.47 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one is sourced from PubChem (CID 11962186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).