6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol

C35H24O5 — CID 139515356

IUPAC6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc4ccccc4c4c3C=CCC=C4)c3ccccc23)c(O)c1O
InChIInChI=1S/C35H24O5/c36-31-30(32(37)34(39)35(40)33(31)38)29-25-16-8-6-14-23(25)28(24-15-7-9-17-26(24)29)27-18-19-10-4-5-11-20(19)21-12-2-1-3-13-22(21)27/h2-18,36-40H,1H2
InChIKeyLJQZKJOTDNVNQY-UHFFFAOYSA-N
MW524.57 g/mol
LogP8.44
Rot. Bonds2

About 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol

6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (PubChem CID 139515356) has the molecular formula C35H24O5 and a molecular weight of 524.57 g/mol. Its IUPAC name is 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
PubChem CID139515356
Molecular FormulaC35H24O5
Molecular Weight524.57 g/mol
Exact Mass524.16
IUPAC Name6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
SMILESOc1c(O)c(O)c(-c2c3ccccc3c(-c3cc4ccccc4c4c3C=CCC=C4)c3ccccc23)c(O)c1O
InChIInChI=1S/C35H24O5/c36-31-30(32(37)34(39)35(40)33(31)38)29-25-16-8-6-14-23(25)28(24-15-7-9-17-26(24)29)27-18-19-10-4-5-11-20(19)21-12-2-1-3-13-22(21)27/h2-18,36-40H,1H2
InChIKeyLJQZKJOTDNVNQY-UHFFFAOYSA-N
XLogP8.44
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 58.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

Analyze 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-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

6-[10-(3-methoxynaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163532535
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
6-[7-[10-(2,3,4,5,6-pentahydroxyphenyl)anthracen-9-yl]naphthalen-1-yl]benzene-1,2,3,4,5-pentol
CID 144837195
6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol
CID 134256975
6-[10-[3-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)phenyl]naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163601335
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
6-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 126632955
6-[10-(10-benzo[a]anthracen-6-ylanthracen-9-yl)anthracen-9-yl]benzo[a]anthracene
CID 59412752
6-[10-(4-bromonaphthalen-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 134593681
6-[10-(3-naphthalen-1-yldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 167074603
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914

Frequently Asked Questions

What is the IUPAC name of 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol (CID 139515356) is 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is Oc1c(O)c(O)c(-c2c3ccccc3c(-c3cc4ccccc4c4c3C=CCC=C4)c3ccccc23)c(O)c1O.
What is the InChIKey of 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
The InChIKey is LJQZKJOTDNVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24O5/c36-31-30(32(37)34(39)35(40)33(31)38)29-25-16-8-6-14-23(25)28(24-15-7-9-17-26(24)29)27-18-19-10-4-5-11-20(19)21-12-2-1-3-13-22(21)27/h2-18,36-40H,1H2.
What are the key properties of 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol?
6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol has a molecular weight of 524.57 g/mol, XLogP of 8.44, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(9H-cyclohepta[a]naphthalen-6-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 139515356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).