9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol

C54H34O8 — CID 163934105

IUPAC9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3cccc(-c4cc5ccc6ccccc6c5c5ccccc45)c3)c3c(O)c(O)c(O)c(O)c3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1O
InChIInChI=1S/C54H34O8/c55-47-43-41(31-15-7-13-29(24-31)35-21-9-12-27-10-1-3-17-34(27)35)44-46(50(58)54(62)52(60)48(44)56)42(45(43)49(57)53(61)51(47)59)32-16-8-14-30(25-32)39-26-33-23-22-28-11-2-4-18-36(28)40(33)38-20-6-5-19-37(38)39/h1-26,55-62H
InChIKeyRLFBHQBEBYZJMM-UHFFFAOYSA-N
MW810.86 g/mol
LogP12.92
Rot. Bonds4

About 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol

9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163934105) has the molecular formula C54H34O8 and a molecular weight of 810.86 g/mol. Its IUPAC name is 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
PubChem CID163934105
Molecular FormulaC54H34O8
Molecular Weight810.86 g/mol
Exact Mass810.23
IUPAC Name9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3cccc(-c4cc5ccc6ccccc6c5c5ccccc45)c3)c3c(O)c(O)c(O)c(O)c3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1O
InChIInChI=1S/C54H34O8/c55-47-43-41(31-15-7-13-29(24-31)35-21-9-12-27-10-1-3-17-34(27)35)44-46(50(58)54(62)52(60)48(44)56)42(45(43)49(57)53(61)51(47)59)32-16-8-14-30(25-32)39-26-33-23-22-28-11-2-4-18-36(28)40(33)38-20-6-5-19-37(38)39/h1-26,55-62H
InChIKeyRLFBHQBEBYZJMM-UHFFFAOYSA-N
XLogP12.92
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.86
LogP ≤ 512.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol 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

9-(3-benzo[c]phenanthren-5-ylphenyl)-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 170600421
bis(5-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene);5-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene;5-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]phenanthrene
CID 160704726
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]phenanthrene
CID 156663096
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
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
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163959829
9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 163801714
1,8-diamino-3-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)pyrene-2,4,5,7,9,10-hexol
CID 123719609

Frequently Asked Questions

What is the IUPAC name of 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol (CID 163934105) is 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3cccc(-c4cc5ccc6ccccc6c5c5ccccc45)c3)c3c(O)c(O)c(O)c(O)c3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1O.
What is the InChIKey of 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is RLFBHQBEBYZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O8/c55-47-43-41(31-15-7-13-29(24-31)35-21-9-12-27-10-1-3-17-34(27)35)44-46(50(58)54(62)52(60)48(44)56)42(45(43)49(57)53(61)51(47)59)32-16-8-14-30(25-32)39-26-33-23-22-28-11-2-4-18-36(28)40(33)38-20-6-5-19-37(38)39/h1-26,55-62H.
What are the key properties of 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 810.86 g/mol, XLogP of 12.92, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163934105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).