2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene

C30H19ClF2 — CID 176875613

IUPAC2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
SMILESFc1cc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(F)c1Cl
InChIInChI=1S/C30H19ClF2/c31-30-27(32)18-24(19-28(30)33)29-25(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-26(29)22-14-8-3-9-15-22/h1-19H
InChIKeyIKAPYHOWGCWUTB-UHFFFAOYSA-N
MW452.93 g/mol
LogP9.29
Rot. Bonds4

About 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene

2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene (PubChem CID 176875613) has the molecular formula C30H19ClF2 and a molecular weight of 452.93 g/mol. Its IUPAC name is 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
PubChem CID176875613
Molecular FormulaC30H19ClF2
Molecular Weight452.93 g/mol
Exact Mass452.11
IUPAC Name2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
SMILESFc1cc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(F)c1Cl
InChIInChI=1S/C30H19ClF2/c31-30-27(32)18-24(19-28(30)33)29-25(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-26(29)22-14-8-3-9-15-22/h1-19H
InChIKeyIKAPYHOWGCWUTB-UHFFFAOYSA-N
XLogP9.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.93
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-fluoro-3,5-diphenylbenzene
CID 23135570
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001
4-(2,3,5-triphenylphenyl)benzoic acid
CID 101126682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene?
The IUPAC name of 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene (CID 176875613) is 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene.
What is the SMILES notation for 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene?
The canonical SMILES for 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene is Fc1cc(-c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc(F)c1Cl.
What is the InChIKey of 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene?
The InChIKey is IKAPYHOWGCWUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19ClF2/c31-30-27(32)18-24(19-28(30)33)29-25(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-26(29)22-14-8-3-9-15-22/h1-19H.
What are the key properties of 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene?
2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene has a molecular weight of 452.93 g/mol, XLogP of 9.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene is sourced from PubChem (CID 176875613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).