9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione

C45H36O11 — CID 135886390

IUPAC9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione
SMILESCCCCCOc1ccc2c(c1)C(=O)C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)=C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)C2=O
InChIInChI=1S/C45H36O11/c1-6-7-8-19-54-21-9-10-22-27(20-21)39(49)33(35-38(48)26-12-14-29-24(16-18-45(4,5)56-29)31(26)41(51)43(35)53)32(36(22)46)34-37(47)25-11-13-28-23(15-17-44(2,3)55-28)30(25)40(50)42(34)52/h9-18,20,52-53H,6-8,19H2,1-5H3
InChIKeyFYMRDXCRPFZSDK-UHFFFAOYSA-N
MW752.77 g/mol
LogP8.08
Rot. Bonds7

About 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione

9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione (PubChem CID 135886390) has the molecular formula C45H36O11 and a molecular weight of 752.77 g/mol. Its IUPAC name is 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione.

Molecular Properties

Compound Name9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione
PubChem CID135886390
Molecular FormulaC45H36O11
Molecular Weight752.77 g/mol
Exact Mass752.23
IUPAC Name9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione
SMILESCCCCCOc1ccc2c(c1)C(=O)C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)=C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)C2=O
InChIInChI=1S/C45H36O11/c1-6-7-8-19-54-21-9-10-22-27(20-21)39(49)33(35-38(48)26-12-14-29-24(16-18-45(4,5)56-29)31(26)41(51)43(35)53)32(36(22)46)34-37(47)25-11-13-28-23(15-17-44(2,3)55-28)30(25)40(50)42(34)52/h9-18,20,52-53H,6-8,19H2,1-5H3
InChIKeyFYMRDXCRPFZSDK-UHFFFAOYSA-N
XLogP8.08
TPSA170.57 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.77
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione with MolForge

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Related Compounds

2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
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CID 6425371
(2E)-5-dodecoxy-2-(hydroxymethylidene)indene-1,3-dione
CID 59879740
2-octadecoxytetracene-5,12-dione
CID 19812763
N-(6-butoxy-2,2-dimethylchromen-4-yl)-N-ethylmethanesulfonamide
CID 19593315
2-(12-docosoxydodecoxy)fluoren-9-one
CID 66718989
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
9-bromo-3,3-dimethylbenzo[f]chromene-7,8,10-trione
CID 11544552
2,7-bis[5-(dipropylamino)pentoxy]fluoren-9-one
CID 154339493
2,7-bis[(E)-2-(4-pentoxyphenyl)ethenyl]anthracene-9,10-dione
CID 122368079
CID 88940979
CID 88940979

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione?
The IUPAC name of 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione (CID 135886390) is 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione.
What is the SMILES notation for 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione?
The canonical SMILES for 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione is CCCCCOc1ccc2c(c1)C(=O)C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)=C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)C2=O.
What is the InChIKey of 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione?
The InChIKey is FYMRDXCRPFZSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36O11/c1-6-7-8-19-54-21-9-10-22-27(20-21)39(49)33(35-38(48)26-12-14-29-24(16-18-45(4,5)56-29)31(26)41(51)43(35)53)32(36(22)46)34-37(47)25-11-13-28-23(15-17-44(2,3)55-28)30(25)40(50)42(34)52/h9-18,20,52-53H,6-8,19H2,1-5H3.
What are the key properties of 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione?
9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione has a molecular weight of 752.77 g/mol, XLogP of 8.08, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8-[3-(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-1,4-dioxo-6-pentoxynaphthalen-2-yl]-3,3-dimethylbenzo[f]chromene-7,10-dione is sourced from PubChem (CID 135886390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).