3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol

C40H26O2 — CID 89295941

IUPAC3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
SMILESOc1cc(-c2cc(O)cc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C40H26O2/c41-31-19-27(17-29(21-31)39-23-25-9-1-3-11-33(25)35-13-5-7-15-37(35)39)28-18-30(22-32(42)20-28)40-24-26-10-2-4-12-34(26)36-14-6-8-16-38(36)40/h1-24,41-42H
InChIKeyRHOASQWVILOPDJ-UHFFFAOYSA-N
MW538.65 g/mol
LogP10.71
Rot. Bonds3

About 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol

3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol (PubChem CID 89295941) has the molecular formula C40H26O2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol.

Molecular Properties

Compound Name3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
PubChem CID89295941
Molecular FormulaC40H26O2
Molecular Weight538.65 g/mol
Exact Mass538.19
IUPAC Name3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol
SMILESOc1cc(-c2cc(O)cc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C40H26O2/c41-31-19-27(17-29(21-31)39-23-25-9-1-3-11-33(25)35-13-5-7-15-37(35)39)28-18-30(22-32(42)20-28)40-24-26-10-2-4-12-34(26)36-14-6-8-16-38(36)40/h1-24,41-42H
InChIKeyRHOASQWVILOPDJ-UHFFFAOYSA-N
XLogP10.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 510.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(3-methyl-5-phenylphenyl)phenanthrene
CID 156682596
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
[3-(hydroxymethyl)-5-phenanthren-9-ylphenyl]methanol
CID 88900775
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-(4-chloronaphthalen-2-yl)phenanthrene
CID 169007345
5-[3-[3-[3-phenanthren-9-yl-5-[3-(3-pyrimidin-5-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 155116803
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
9-(4-iodophenyl)phenanthrene
CID 89083753
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
4-phenanthren-9-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167410426

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol?
The IUPAC name of 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol (CID 89295941) is 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol.
What is the SMILES notation for 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol?
The canonical SMILES for 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol is Oc1cc(-c2cc(O)cc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol?
The InChIKey is RHOASQWVILOPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O2/c41-31-19-27(17-29(21-31)39-23-25-9-1-3-11-33(25)35-13-5-7-15-37(35)39)28-18-30(22-32(42)20-28)40-24-26-10-2-4-12-34(26)36-14-6-8-16-38(36)40/h1-24,41-42H.
What are the key properties of 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol?
3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol has a molecular weight of 538.65 g/mol, XLogP of 10.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-5-phenanthren-9-ylphenyl)-5-phenanthren-9-ylphenol is sourced from PubChem (CID 89295941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).