3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene

C28H22O — CID 154708061

IUPAC3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
SMILESCOc1ccc2c(-c3ccccc3)c(-c3ccc(C)cc3)c3ccccc3c2c1
InChIInChI=1S/C28H22O/c1-19-12-14-21(15-13-19)28-24-11-7-6-10-23(24)26-18-22(29-2)16-17-25(26)27(28)20-8-4-3-5-9-20/h3-18H,1-2H3
InChIKeyLQYMQRFIVDVIPL-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.64
Rot. Bonds3

About 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene

3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene (PubChem CID 154708061) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene.

Molecular Properties

Compound Name3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
PubChem CID154708061
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
SMILESCOc1ccc2c(-c3ccccc3)c(-c3ccc(C)cc3)c3ccccc3c2c1
InChIInChI=1S/C28H22O/c1-19-12-14-21(15-13-19)28-24-11-7-6-10-23(24)26-18-22(29-2)16-17-25(26)27(28)20-8-4-3-5-9-20/h3-18H,1-2H3
InChIKeyLQYMQRFIVDVIPL-UHFFFAOYSA-N
XLogP7.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.64
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

Nabumetone
CID 4409
2-Methoxynaphthalene
CID 7119
9-Hydroxybenzo(a)pyrene
CID 28598
1,4-Dimethoxyanthracene
CID 83107
3-Hydroxybenzo(a)pyrene
CID 25890
Benzyl 2-naphthyl ether
CID 123080
Butyl beta-naphthyl ether
CID 82664
Benzo(kl)xanthene
CID 67456
Cirrhopetalanthin
CID 9982511
1-((4-Hydroxyphenyl)methyl)-4-methoxyphenanthrene-2,7-diol
CID 14630664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
2-Hydroxybenzo(a)pyrene
CID 42027

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene?
The IUPAC name of 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene (CID 154708061) is 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene.
What is the SMILES notation for 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene?
The canonical SMILES for 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene is COc1ccc2c(-c3ccccc3)c(-c3ccc(C)cc3)c3ccccc3c2c1.
What is the InChIKey of 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene?
The InChIKey is LQYMQRFIVDVIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-19-12-14-21(15-13-19)28-24-11-7-6-10-23(24)26-18-22(29-2)16-17-25(26)27(28)20-8-4-3-5-9-20/h3-18H,1-2H3.
What are the key properties of 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene?
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene has a molecular weight of 374.48 g/mol, XLogP of 7.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene is sourced from PubChem (CID 154708061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).