9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene

C34H26O — CID 145448133

IUPAC9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene
SMILESCOc1ccc(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1-c1cccc(C)c1
InChIInChI=1S/C34H26O/c1-23-10-9-12-24(20-23)27-14-5-6-16-30(27)33-22-26(18-19-34(33)35-2)32-21-25-11-3-4-13-28(25)29-15-7-8-17-31(29)32/h3-22H,1-2H3
InChIKeyGUYDAESREHNYRS-UHFFFAOYSA-N
MW450.58 g/mol
LogP9.31
Rot. Bonds4

About 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene

9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene (PubChem CID 145448133) has the molecular formula C34H26O and a molecular weight of 450.58 g/mol. Its IUPAC name is 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene
PubChem CID145448133
Molecular FormulaC34H26O
Molecular Weight450.58 g/mol
Exact Mass450.20
IUPAC Name9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene
SMILESCOc1ccc(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1-c1cccc(C)c1
InChIInChI=1S/C34H26O/c1-23-10-9-12-24(20-23)27-14-5-6-16-30(27)33-22-26(18-19-34(33)35-2)32-21-25-11-3-4-13-28(25)29-15-7-8-17-31(29)32/h3-22H,1-2H3
InChIKeyGUYDAESREHNYRS-UHFFFAOYSA-N
XLogP9.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzenecarboximidamide;methanimine;9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene;4-methyldibenzothiophene
CID 145448132
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9-(3-methyl-5-phenylphenyl)phenanthrene
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9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
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Frequently Asked Questions

What is the IUPAC name of 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene?
The IUPAC name of 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene (CID 145448133) is 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene.
What is the SMILES notation for 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene?
The canonical SMILES for 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene is COc1ccc(-c2cc3ccccc3c3ccccc23)cc1-c1ccccc1-c1cccc(C)c1.
What is the InChIKey of 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene?
The InChIKey is GUYDAESREHNYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O/c1-23-10-9-12-24(20-23)27-14-5-6-16-30(27)33-22-26(18-19-34(33)35-2)32-21-25-11-3-4-13-28(25)29-15-7-8-17-31(29)32/h3-22H,1-2H3.
What are the key properties of 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene?
9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene has a molecular weight of 450.58 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methoxy-3-[2-(3-methylphenyl)phenyl]phenyl]phenanthrene is sourced from PubChem (CID 145448133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).