6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol

C35H26O5 — CID 134256975

IUPAC6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol
SMILESCc1cccccc(-c2cc3ccccc3c3ccccc23)c2ccccc2c1-c1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C35H26O5/c1-20-11-3-2-4-14-26(28-19-21-12-5-6-13-22(21)23-15-7-8-17-25(23)28)24-16-9-10-18-27(24)29(20)30-31(36)33(38)35(40)34(39)32(30)37/h2-19,36-40H,1H3/b3-2-,4-2-,11-3-,14-4+,20-11+,26-14-,26-24+,29-20-,29-27+
InChIKeyFPVYXGIICDCRLX-NKSQVDJQSA-N
MW526.59 g/mol
LogP8.44
Rot. Bonds2

About 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol

6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol (PubChem CID 134256975) has the molecular formula C35H26O5 and a molecular weight of 526.59 g/mol. Its IUPAC name is 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol
PubChem CID134256975
Molecular FormulaC35H26O5
Molecular Weight526.59 g/mol
Exact Mass526.18
IUPAC Name6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol
SMILESCc1cccccc(-c2cc3ccccc3c3ccccc23)c2ccccc2c1-c1c(O)c(O)c(O)c(O)c1O
InChIInChI=1S/C35H26O5/c1-20-11-3-2-4-14-26(28-19-21-12-5-6-13-22(21)23-15-7-8-17-25(23)28)24-16-9-10-18-27(24)29(20)30-31(36)33(38)35(40)34(39)32(30)37/h2-19,36-40H,1H3/b3-2-,4-2-,11-3-,14-4+,20-11+,26-14-,26-24+,29-20-,29-27+
InChIKeyFPVYXGIICDCRLX-NKSQVDJQSA-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 ≤ 500526.59
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_3', 'substructure': 'N/A'}

Analyze 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol with MolForge

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Related Compounds

1-hydroxy-3-(2-methylphenyl)naphthalene-2-carboxylic acid
CID 67376724
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9-naphthalen-1-ylphenanthrene
CID 20606742
1-(2-phenanthren-9-ylphenyl)propan-2-one
CID 125333514
9-(4-methyl-2,5-diphenylphenyl)phenanthrene
CID 167535758
6-(10-phenanthren-3-ylanthracen-9-yl)benzene-1,2,3,4,5-pentol
CID 155392957
13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 13440491
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
6-[10-(4-methylphenyl)-9-phenanthren-2-ylanthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 91497188
9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol (CID 134256975) is 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol is Cc1cccccc(-c2cc3ccccc3c3ccccc23)c2ccccc2c1-c1c(O)c(O)c(O)c(O)c1O.
What is the InChIKey of 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol?
The InChIKey is FPVYXGIICDCRLX-NKSQVDJQSA-N. The full InChI is InChI=1S/C35H26O5/c1-20-11-3-2-4-14-26(28-19-21-12-5-6-13-22(21)23-15-7-8-17-25(23)28)24-16-9-10-18-27(24)29(20)30-31(36)33(38)35(40)34(39)32(30)37/h2-19,36-40H,1H3/b3-2-,4-2-,11-3-,14-4+,20-11+,26-14-,26-24+,29-20-,29-27+.
What are the key properties of 6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol?
6-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol has a molecular weight of 526.59 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-(6-methyl-12-phenanthren-9-ylbenzo[10]annulen-5-yl)benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 134256975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).