methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione

C40H32O8 — CID 161443528

IUPACmethane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione
SMILESC.Cc1cc(C)c2oc(=O)c3c4cc(Cc5cc(C)c6oc(=O)c7c8cc(C)cc(C)c8oc(=O)c7c6c5)cc(C)c4oc(=O)c3c2c1
InChIInChI=1S/C39H28O8.CH4/c1-16-7-18(3)32-24(9-16)28-30(38(42)44-32)26-14-22(11-20(5)34(26)46-36(28)40)13-23-12-21(6)35-27(15-23)31-29(37(41)47-35)25-10-17(2)8-19(4)33(25)45-39(31)43;/h7-12,14-15H,13H2,1-6H3;1H4
InChIKeyVZPFZDQSTMWHCK-UHFFFAOYSA-N
MW640.69 g/mol
LogP8.50
Rot. Bonds2

About methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione

methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione (PubChem CID 161443528) has the molecular formula C40H32O8 and a molecular weight of 640.69 g/mol. Its IUPAC name is methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione.

Molecular Properties

Compound Namemethane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione
PubChem CID161443528
Molecular FormulaC40H32O8
Molecular Weight640.69 g/mol
Exact Mass640.21
IUPAC Namemethane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione
SMILESC.Cc1cc(C)c2oc(=O)c3c4cc(Cc5cc(C)c6oc(=O)c7c8cc(C)cc(C)c8oc(=O)c7c6c5)cc(C)c4oc(=O)c3c2c1
InChIInChI=1S/C39H28O8.CH4/c1-16-7-18(3)32-24(9-16)28-30(38(42)44-32)26-14-22(11-20(5)34(26)46-36(28)40)13-23-12-21(6)35-27(15-23)31-29(37(41)47-35)25-10-17(2)8-19(4)33(25)45-39(31)43;/h7-12,14-15H,13H2,1-6H3;1H4
InChIKeyVZPFZDQSTMWHCK-UHFFFAOYSA-N
XLogP8.50
TPSA120.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.69
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione with MolForge

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Related Compounds

methane;1,3,7,9-tetramethylchromeno[4,3-c]chromene-5,11-dione
CID 158660915
3,4,6,8-tetramethylchromen-2-one
CID 71322900
2-butyl-6,8-dimethylchromen-4-one
CID 134911457
6,8-dimethyl-2,3-dihydro-1H-dibenzofuran-4-one
CID 10822519
1-(3,5,7-trimethyl-1-benzofuran-2-yl)ethanone
CID 43155116
2,4,8,10-tetramethylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 90348830
3-chloro-5,7-dimethyl-1-benzofuran-2-carbaldehyde
CID 82395243
(3-cyclopropyl-5,7-dimethyl-1-benzofuran-2-yl)methanamine
CID 62381419
3-[(3-chlorophenyl)diazenyl]-4-hydroxy-6,8-dimethylchromen-2-one
CID 137098687
2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one
CID 82046563
2,3-bis(ethenyl)-5,7-dimethyl-1-benzofuran
CID 123553772
3-tert-butyl-5,7-dimethyl-1-benzofuran-2-carboxylic acid
CID 55068543

Frequently Asked Questions

What is the IUPAC name of methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione?
The IUPAC name of methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione (CID 161443528) is methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione.
What is the SMILES notation for methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione?
The canonical SMILES for methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione is C.Cc1cc(C)c2oc(=O)c3c4cc(Cc5cc(C)c6oc(=O)c7c8cc(C)cc(C)c8oc(=O)c7c6c5)cc(C)c4oc(=O)c3c2c1.
What is the InChIKey of methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione?
The InChIKey is VZPFZDQSTMWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28O8.CH4/c1-16-7-18(3)32-24(9-16)28-30(38(42)44-32)26-14-22(11-20(5)34(26)46-36(28)40)13-23-12-21(6)35-27(15-23)31-29(37(41)47-35)25-10-17(2)8-19(4)33(25)45-39(31)43;/h7-12,14-15H,13H2,1-6H3;1H4.
What are the key properties of methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione?
methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione has a molecular weight of 640.69 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,7,9-trimethyl-3-[(1,7,9-trimethyl-5,11-dioxochromeno[4,3-c]chromen-3-yl)methyl]chromeno[4,3-c]chromene-5,11-dione is sourced from PubChem (CID 161443528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).