5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene

C32H18F6 — CID 59282523

IUPAC5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
SMILESFC(F)(F)c1ccc(-c2cc3cc(-c4ccc(C(F)(F)F)cc4)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C32H18F6/c33-31(34,35)22-13-9-19(10-14-22)28-17-21-18-29(20-11-15-23(16-12-20)32(36,37)38)25-6-2-4-8-27(25)30(21)26-7-3-1-5-24(26)28/h1-18H
InChIKeyFXUQRYWNUKYPMV-UHFFFAOYSA-N
MW516.48 g/mol
LogP10.52
Rot. Bonds2

About 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene

5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene (PubChem CID 59282523) has the molecular formula C32H18F6 and a molecular weight of 516.48 g/mol. Its IUPAC name is 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene.

Molecular Properties

Compound Name5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
PubChem CID59282523
Molecular FormulaC32H18F6
Molecular Weight516.48 g/mol
Exact Mass516.13
IUPAC Name5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
SMILESFC(F)(F)c1ccc(-c2cc3cc(-c4ccc(C(F)(F)F)cc4)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C32H18F6/c33-31(34,35)22-13-9-19(10-14-22)28-17-21-18-29(20-11-15-23(16-12-20)32(36,37)38)25-6-2-4-8-27(25)30(21)26-7-3-1-5-24(26)28/h1-18H
InChIKeyFXUQRYWNUKYPMV-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 510.52
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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Related Compounds

4,10-bis[4-(trifluoromethyl)phenyl]pyrene
CID 122550344
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene
CID 86233116
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
5,8-bis(3,5-dimethylphenyl)benzo[c]phenanthrene
CID 59282192
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
9,13,23,27-tetramethyl-5,19-bis[4-(trifluoromethyl)phenyl]octacyclo[19.7.1.17,11.02,20.03,17.06,16.025,29.015,30]triaconta-1(28),2,4,6(16),7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
CID 164933426
8,25,27-tris[4-(trifluoromethyl)phenyl]octacyclo[15.13.1.118,26.02,7.09,31.010,15.019,24.030,32]dotriaconta-1(31),2,4,6,8,10,12,14,16,18(32),19,21,23,25,27,29-hexadecaene
CID 132515075
9,20-bis[4-(trifluoromethyl)phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 46177256
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
2-[6-pyridin-2-yl-2,7-bis[4-(trifluoromethyl)phenyl]pyren-1-yl]pyridine
CID 132519155
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene?
The IUPAC name of 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene (CID 59282523) is 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene.
What is the SMILES notation for 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene?
The canonical SMILES for 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene is FC(F)(F)c1ccc(-c2cc3cc(-c4ccc(C(F)(F)F)cc4)c4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene?
The InChIKey is FXUQRYWNUKYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F6/c33-31(34,35)22-13-9-19(10-14-22)28-17-21-18-29(20-11-15-23(16-12-20)32(36,37)38)25-6-2-4-8-27(25)30(21)26-7-3-1-5-24(26)28/h1-18H.
What are the key properties of 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene?
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene has a molecular weight of 516.48 g/mol, XLogP of 10.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 59282523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).