6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol

C44H36O10 — CID 170285806

IUPAC6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol
SMILESCc1cc2cc(-c3c(O)c(O)c(O)c(O)c3O)ccc2cc1C1=C(c2c3c(c(-c4c(O)c(O)c(O)c(O)c4O)c4ccccc24)CCC=C3)C=CCC1C
InChIInChI=1S/C44H36O10/c1-19-8-7-13-28(30(19)29-18-21-14-15-22(17-23(21)16-20(29)2)31-35(45)39(49)43(53)40(50)36(31)46)32-24-9-3-5-11-26(24)33(27-12-6-4-10-25(27)32)34-37(47)41(51)44(54)42(52)38(34)48/h3-5,7,9-11,13-19,45-54H,6,8,12H2,1-2H3
InChIKeyROEGNWMKXIYNJN-UHFFFAOYSA-N
MW724.76 g/mol
LogP9.16
Rot. Bonds4

About 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol

6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol (PubChem CID 170285806) has the molecular formula C44H36O10 and a molecular weight of 724.76 g/mol. Its IUPAC name is 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol
PubChem CID170285806
Molecular FormulaC44H36O10
Molecular Weight724.76 g/mol
Exact Mass724.23
IUPAC Name6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol
SMILESCc1cc2cc(-c3c(O)c(O)c(O)c(O)c3O)ccc2cc1C1=C(c2c3c(c(-c4c(O)c(O)c(O)c(O)c4O)c4ccccc24)CCC=C3)C=CCC1C
InChIInChI=1S/C44H36O10/c1-19-8-7-13-28(30(19)29-18-21-14-15-22(17-23(21)16-20(29)2)31-35(45)39(49)43(53)40(50)36(31)46)32-24-9-3-5-11-26(24)33(27-12-6-4-10-25(27)32)34-37(47)41(51)44(54)42(52)38(34)48/h3-5,7,9-11,13-19,45-54H,6,8,12H2,1-2H3
InChIKeyROEGNWMKXIYNJN-UHFFFAOYSA-N
XLogP9.16
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500724.76
LogP ≤ 59.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
2-[2-methyl-5-(10-naphthalen-1-yl-1,2-dihydroanthracen-9-yl)phenyl]benzenethiol
CID 166906974
10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856949
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
3-methyl-6-[10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 145303264
1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene
CID 91043371
9-(5-methyl-5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-ylanthracene
CID 91435871
CID 174011841
CID 174011841
CID 174139082
CID 174139082
ethane;3-methyl-6-[10-(4-phenyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]benzene-1,2,4,5-tetrol
CID 145303263
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944

Frequently Asked Questions

What is the IUPAC name of 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol (CID 170285806) is 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol is Cc1cc2cc(-c3c(O)c(O)c(O)c(O)c3O)ccc2cc1C1=C(c2c3c(c(-c4c(O)c(O)c(O)c(O)c4O)c4ccccc24)CCC=C3)C=CCC1C.
What is the InChIKey of 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is ROEGNWMKXIYNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36O10/c1-19-8-7-13-28(30(19)29-18-21-14-15-22(17-23(21)16-20(29)2)31-35(45)39(49)43(53)40(50)36(31)46)32-24-9-3-5-11-26(24)33(27-12-6-4-10-25(27)32)34-37(47)41(51)44(54)42(52)38(34)48/h3-5,7,9-11,13-19,45-54H,6,8,12H2,1-2H3.
What are the key properties of 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol?
6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 724.76 g/mol, XLogP of 9.16, 4 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-methyl-6-[6-methyl-2-[10-(2,3,4,5,6-pentahydroxyphenyl)-3,4-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]naphthalen-2-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 170285806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).