9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene

C30H34 — CID 143125709

IUPAC9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
SMILESCCCCC(CC)Cc1c(-c2ccc(C)cc2)c2cc(C)ccc2c2ccccc12
InChIInChI=1S/C30H34/c1-5-7-10-23(6-2)20-29-26-12-9-8-11-25(26)27-18-15-22(4)19-28(27)30(29)24-16-13-21(3)14-17-24/h8-9,11-19,23H,5-7,10,20H2,1-4H3
InChIKeyWAPYBVQUPXWZIN-UHFFFAOYSA-N
MW394.60 g/mol
LogP9.04
Rot. Bonds7

About 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene

9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene (PubChem CID 143125709) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Name9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
PubChem CID143125709
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
SMILESCCCCC(CC)Cc1c(-c2ccc(C)cc2)c2cc(C)ccc2c2ccccc12
InChIInChI=1S/C30H34/c1-5-7-10-23(6-2)20-29-26-12-9-8-11-25(26)27-18-15-22(4)19-28(27)30(29)24-16-13-21(3)14-17-24/h8-9,11-19,23H,5-7,10,20H2,1-4H3
InChIKeyWAPYBVQUPXWZIN-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene?
The IUPAC name of 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene (CID 143125709) is 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene.
What is the SMILES notation for 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene?
The canonical SMILES for 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene is CCCCC(CC)Cc1c(-c2ccc(C)cc2)c2cc(C)ccc2c2ccccc12.
What is the InChIKey of 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene?
The InChIKey is WAPYBVQUPXWZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34/c1-5-7-10-23(6-2)20-29-26-12-9-8-11-25(26)27-18-15-22(4)19-28(27)30(29)24-16-13-21(3)14-17-24/h8-9,11-19,23H,5-7,10,20H2,1-4H3.
What are the key properties of 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene?
9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene has a molecular weight of 394.60 g/mol, XLogP of 9.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene is sourced from PubChem (CID 143125709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).