10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene

C24H15F3 — CID 58426666

IUPAC10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
SMILESCc1ccc2c(ccc3cc4c(ccc5cc(C(F)(F)F)ccc54)cc32)c1
InChIInChI=1S/C24H15F3/c1-14-2-8-20-15(10-14)3-5-17-13-23-18(12-22(17)20)6-4-16-11-19(24(25,26)27)7-9-21(16)23/h2-13H,1H3
InChIKeyNOABJGCQFKMRRG-UHFFFAOYSA-N
MW360.38 g/mol
LogP7.63
Rot. Bonds

About 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene

10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene (PubChem CID 58426666) has the molecular formula C24H15F3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene.

Molecular Properties

Compound Name10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
PubChem CID58426666
Molecular FormulaC24H15F3
Molecular Weight360.38 g/mol
Exact Mass360.11
IUPAC Name10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
SMILESCc1ccc2c(ccc3cc4c(ccc5cc(C(F)(F)F)ccc54)cc32)c1
InChIInChI=1S/C24H15F3/c1-14-2-8-20-15(10-14)3-5-17-13-23-18(12-22(17)20)6-4-16-11-19(24(25,26)27)7-9-21(16)23/h2-13H,1H3
InChIKeyNOABJGCQFKMRRG-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.38
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene?
The IUPAC name of 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene (CID 58426666) is 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene.
What is the SMILES notation for 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene?
The canonical SMILES for 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene is Cc1ccc2c(ccc3cc4c(ccc5cc(C(F)(F)F)ccc54)cc32)c1.
What is the InChIKey of 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene?
The InChIKey is NOABJGCQFKMRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3/c1-14-2-8-20-15(10-14)3-5-17-13-23-18(12-22(17)20)6-4-16-11-19(24(25,26)27)7-9-21(16)23/h2-13H,1H3.
What are the key properties of 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene?
10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene has a molecular weight of 360.38 g/mol, XLogP of 7.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene is sourced from PubChem (CID 58426666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).