5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one

C36H30O10 — CID 14889330

IUPAC5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
SMILESCOc1c(OC)c(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1c(OC)c(OC)c(OC)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C36H30O10/c1-39-31-25-21(37)17-23(19-13-9-7-10-14-19)45-29(25)27(33(41-3)35(31)43-5)28-30-26(32(40-2)36(44-6)34(28)42-4)22(38)18-24(46-30)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKeyINMSEIKPXHQPPA-UHFFFAOYSA-N
MW622.63 g/mol
LogP6.95
Rot. Bonds9

About 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one

5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one (PubChem CID 14889330) has the molecular formula C36H30O10 and a molecular weight of 622.63 g/mol. Its IUPAC name is 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
PubChem CID14889330
Molecular FormulaC36H30O10
Molecular Weight622.63 g/mol
Exact Mass622.18
IUPAC Name5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
SMILESCOc1c(OC)c(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1c(OC)c(OC)c(OC)c2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C36H30O10/c1-39-31-25-21(37)17-23(19-13-9-7-10-14-19)45-29(25)27(33(41-3)35(31)43-5)28-30-26(32(40-2)36(44-6)34(28)42-4)22(38)18-24(46-30)20-15-11-8-12-16-20/h7-18H,1-6H3
InChIKeyINMSEIKPXHQPPA-UHFFFAOYSA-N
XLogP6.95
TPSA115.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.63
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
CID 10477206
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
6,7-dimethoxy-2-(4-methoxyphenyl)-5,8-dimethylchromen-4-one
CID 145159791
5,6,7,8-tetramethoxy-2-(4-methoxy-3-nitrophenyl)chromen-4-one
CID 44583489

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one?
The IUPAC name of 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one (CID 14889330) is 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one.
What is the SMILES notation for 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one?
The canonical SMILES for 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one is COc1c(OC)c(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1c(OC)c(OC)c(OC)c2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one?
The InChIKey is INMSEIKPXHQPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O10/c1-39-31-25-21(37)17-23(19-13-9-7-10-14-19)45-29(25)27(33(41-3)35(31)43-5)28-30-26(32(40-2)36(44-6)34(28)42-4)22(38)18-24(46-30)20-15-11-8-12-16-20/h7-18H,1-6H3.
What are the key properties of 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one?
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one has a molecular weight of 622.63 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one is sourced from PubChem (CID 14889330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).