6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine

C19H12F3N — CID 132507792

IUPAC6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine
SMILESFC(F)(F)Cc1nc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C19H12F3N/c20-19(21,22)11-17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)18(16)23-17/h1-10H,11H2
InChIKeyXEKMXAVXQRFYJR-UHFFFAOYSA-N
MW311.31 g/mol
LogP5.65
Rot. Bonds1

About 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine

6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine (PubChem CID 132507792) has the molecular formula C19H12F3N and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine
PubChem CID132507792
Molecular FormulaC19H12F3N
Molecular Weight311.31 g/mol
Exact Mass311.09
IUPAC Name6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine
SMILESFC(F)(F)Cc1nc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C19H12F3N/c20-19(21,22)11-17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)18(16)23-17/h1-10H,11H2
InChIKeyXEKMXAVXQRFYJR-UHFFFAOYSA-N
XLogP5.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.31
LogP ≤ 55.65
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

6-bromobenzo[c]phenanthridine
CID 151634252
chrysene;iron
CID 157379031
6-tert-butyl-9-chlorobenzo[c]phenanthridine
CID 23628389
ethene;picene
CID 175286520
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
benzo[h]quinazoline-2,4-diamine
CID 70564764
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine
CID 155792510
6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]phenanthridine
CID 155792781
7-ethylsulfanylbenzo[c]acridine
CID 154133463
6,9-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 87476732
2-tert-butylphenanthro[9,10-b]pyridine
CID 90180532

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine?
The IUPAC name of 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine (CID 132507792) is 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine is FC(F)(F)Cc1nc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine?
The InChIKey is XEKMXAVXQRFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N/c20-19(21,22)11-17-15-8-4-3-7-14(15)16-10-9-12-5-1-2-6-13(12)18(16)23-17/h1-10H,11H2.
What are the key properties of 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine?
6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine has a molecular weight of 311.31 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)benzo[c]phenanthridine is sourced from PubChem (CID 132507792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).