[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane

C28H18ClF3NP — CID 170294753

IUPAC[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane
SMILESFC(F)(F)c1cc(Cl)cc(-c2ccc3cc(-c4ccc(-c5ccc(P)cc5)cc4)cnc3c2)c1
InChIInChI=1S/C28H18ClF3NP/c29-25-13-22(12-24(15-25)28(30,31)32)20-5-6-21-11-23(16-33-27(21)14-20)19-3-1-17(2-4-19)18-7-9-26(34)10-8-18/h1-16H,34H2
InChIKeyUMULTUKKXOSCET-UHFFFAOYSA-N
MW491.88 g/mol
LogP8.41
Rot. Bonds3

About [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane

[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane (PubChem CID 170294753) has the molecular formula C28H18ClF3NP and a molecular weight of 491.88 g/mol. Its IUPAC name is [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane
PubChem CID170294753
Molecular FormulaC28H18ClF3NP
Molecular Weight491.88 g/mol
Exact Mass491.08
IUPAC Name[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane
SMILESFC(F)(F)c1cc(Cl)cc(-c2ccc3cc(-c4ccc(-c5ccc(P)cc5)cc4)cnc3c2)c1
InChIInChI=1S/C28H18ClF3NP/c29-25-13-22(12-24(15-25)28(30,31)32)20-5-6-21-11-23(16-33-27(21)14-20)19-3-1-17(2-4-19)18-7-9-26(34)10-8-18/h1-16H,34H2
InChIKeyUMULTUKKXOSCET-UHFFFAOYSA-N
XLogP8.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.88
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-(4-quinolin-3-ylphenyl)quinoline
CID 170295226
7-[3,5-bis(trifluoromethyl)phenyl]-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]quinoline
CID 169293501
7-[3,5-bis(trifluoromethyl)phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293842
7-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3-(4-pyridin-2-ylphenyl)quinoline
CID 169293936
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]phenyl]quinoline
CID 171056228
trimethyl-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]silane
CID 169293955
trimethyl-[4-[4-[3-[4-[4-(trifluoromethyl)phenyl]phenyl]quinolin-7-yl]phenyl]phenyl]silane
CID 169293948
3-[4-(4-chlorophenyl)phenyl]-7-(4-methylphenyl)quinoline
CID 170294742
3-phenyl-7-(trifluoromethyl)quinoline
CID 86031404
3-(4-dibenzothiophen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293563

Frequently Asked Questions

What is the IUPAC name of [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane?
The IUPAC name of [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane (CID 170294753) is [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane.
What is the SMILES notation for [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane?
The canonical SMILES for [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane is FC(F)(F)c1cc(Cl)cc(-c2ccc3cc(-c4ccc(-c5ccc(P)cc5)cc4)cnc3c2)c1.
What is the InChIKey of [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane?
The InChIKey is UMULTUKKXOSCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClF3NP/c29-25-13-22(12-24(15-25)28(30,31)32)20-5-6-21-11-23(16-33-27(21)14-20)19-3-1-17(2-4-19)18-7-9-26(34)10-8-18/h1-16H,34H2.
What are the key properties of [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane?
[4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane has a molecular weight of 491.88 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]quinolin-3-yl]phenyl]phenyl]phosphane is sourced from PubChem (CID 170294753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).