7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione

C28H20O4 — CID 122214288

IUPAC7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C28H20O4/c29-21-10-6-12-23-25(21)24(19-15-13-18(14-16-19)17-7-2-1-3-8-17)26-27(31-23)20-9-4-5-11-22(20)32-28(26)30/h1-5,7-9,11,13-16,24H,6,10,12H2
InChIKeyOMBSCAYULAUMOG-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.99
Rot. Bonds2

About 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione

7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione (PubChem CID 122214288) has the molecular formula C28H20O4 and a molecular weight of 420.46 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione.

Molecular Properties

Compound Name7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione
PubChem CID122214288
Molecular FormulaC28H20O4
Molecular Weight420.46 g/mol
Exact Mass420.14
IUPAC Name7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C28H20O4/c29-21-10-6-12-23-25(21)24(19-15-13-18(14-16-19)17-7-2-1-3-8-17)26-27(31-23)20-9-4-5-11-22(20)32-28(26)30/h1-5,7-9,11,13-16,24H,6,10,12H2
InChIKeyOMBSCAYULAUMOG-UHFFFAOYSA-N
XLogP5.99
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(4-nitrophenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione
CID 57380802
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057
(2E,3S)-2-hydroxyimino-3-phenyl-3,5,6,7-tetrahydro-1-benzofuran-4-one
CID 98535499
5-phenyl-2,4-bis(sulfanylidene)-5,7,8,9-tetrahydro-1H-chromeno[2,3-d]pyrimidin-6-one
CID 53468180
2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 142491894
13-(2-chlorophenyl)-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene-11,15-dione
CID 139237910
2-amino-5-oxo-4-[4-(1H-pyrazol-4-yl)phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 142491826
(4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680068
15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
CID 11840825
(4R)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680069
13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 15425881
ethyl (4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carboxylate
CID 985619

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione?
The IUPAC name of 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione (CID 122214288) is 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione.
What is the SMILES notation for 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione?
The canonical SMILES for 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione is O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)c1c(c3ccccc3oc1=O)O2.
What is the InChIKey of 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione?
The InChIKey is OMBSCAYULAUMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O4/c29-21-10-6-12-23-25(21)24(19-15-13-18(14-16-19)17-7-2-1-3-8-17)26-27(31-23)20-9-4-5-11-22(20)32-28(26)30/h1-5,7-9,11,13-16,24H,6,10,12H2.
What are the key properties of 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione?
7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione has a molecular weight of 420.46 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-7,9,10,11-tetrahydrochromeno[3,2-c]chromene-6,8-dione is sourced from PubChem (CID 122214288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).