6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol

C34H22O18 — CID 163547290

IUPAC6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3c(O)c(O)c4c(O)c(O)c5c(O)c(O)c(O)c(O)c5c4c3O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O
InChIInChI=1S/C34H22O18/c35-17-11-12-16(27(45)31(49)30(48)20(12)38)24(42)23(41)15(11)22(40)21(39)13(17)7-5-3-1-2-4-6(5)8(10-9(7)18(36)28(46)29(47)19(10)37)14-25(43)32(50)34(52)33(51)26(14)44/h1-4,35-52H
InChIKeyFGDLLBMMNAQOHM-UHFFFAOYSA-N
MW718.53 g/mol
LogP4.33
Rot. Bonds2

About 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol

6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol (PubChem CID 163547290) has the molecular formula C34H22O18 and a molecular weight of 718.53 g/mol. Its IUPAC name is 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol.

Molecular Properties

Compound Name6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol
PubChem CID163547290
Molecular FormulaC34H22O18
Molecular Weight718.53 g/mol
Exact Mass718.08
IUPAC Name6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3c(O)c(O)c4c(O)c(O)c5c(O)c(O)c(O)c(O)c5c4c3O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O
InChIInChI=1S/C34H22O18/c35-17-11-12-16(27(45)31(49)30(48)20(12)38)24(42)23(41)15(11)22(40)21(39)13(17)7-5-3-1-2-4-6(5)8(10-9(7)18(36)28(46)29(47)19(10)37)14-25(43)32(50)34(52)33(51)26(14)44/h1-4,35-52H
InChIKeyFGDLLBMMNAQOHM-UHFFFAOYSA-N
XLogP4.33
TPSA364.14 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.53
LogP ≤ 54.33
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol with MolForge

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Related Compounds

9-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)-10-[2-(1,3,4,5,6,7,8-heptahydroxynaphthalen-2-yl)-3,4,5,6-tetrahydroxyphenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 158377859
tetracyclo[6.6.2.02,7.09,14]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene-15,16-diol
CID 123414874
8-(2,3,4,5,6-pentahydroxyphenyl)-3-[10-(2,3,5,6-tetrahydroxy-4-phenylphenyl)anthracen-9-yl]dibenzofuran-1,2,4,6,7,9-hexol
CID 163429697
8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol
CID 142377573
7-[10-(2,3,6-trihydroxy-4,5-diphenylphenyl)anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 161266318
6-[10-(4-bromonaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 134593681
7-[4-[10-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)anthracen-9-yl]phenyl]naphthalene-1,2,3,4,5,6,8-heptol
CID 163725509
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
9-(3-dibenzofuran-1-ylphenyl)-10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163573401
7-(6-dibenzofuran-1-ylpyren-1-yl)naphthalene-1,2,3,4,5,6,8-heptol
CID 170244051
8-[4-[3-naphthalen-1-yl-5-[3-(2,3,4,5,6,7,8,9,10-nonahydroxypyren-1-yl)phenyl]phenyl]phenyl]pyrene-1,2,3,4,5,6,7,9,10-nonol
CID 163708749
8-(2,3,6,7-tetrahydroxy-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-1,2,3,4,6,7,9-heptol
CID 163832230

Frequently Asked Questions

What is the IUPAC name of 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol?
The IUPAC name of 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol (CID 163547290) is 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol.
What is the SMILES notation for 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol?
The canonical SMILES for 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3c(O)c(O)c4c(O)c(O)c5c(O)c(O)c(O)c(O)c5c4c3O)c3c(O)c(O)c(O)c(O)c23)c(O)c1O.
What is the InChIKey of 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol?
The InChIKey is FGDLLBMMNAQOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O18/c35-17-11-12-16(27(45)31(49)30(48)20(12)38)24(42)23(41)15(11)22(40)21(39)13(17)7-5-3-1-2-4-6(5)8(10-9(7)18(36)28(46)29(47)19(10)37)14-25(43)32(50)34(52)33(51)26(14)44/h1-4,35-52H.
What are the key properties of 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol?
6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol has a molecular weight of 718.53 g/mol, XLogP of 4.33, 2 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,2,3,4-tetrahydroxy-10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]phenanthrene-1,2,3,4,5,7,8,9,10-nonol is sourced from PubChem (CID 163547290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).