1,2,3-trichloro-5-(4-phenylphenyl)benzene

C18H11Cl3 — CID 71394428

IUPAC1,2,3-trichloro-5-(4-phenylphenyl)benzene
SMILESClc1cc(-c2ccc(-c3ccccc3)cc2)cc(Cl)c1Cl
InChIInChI=1S/C18H11Cl3/c19-16-10-15(11-17(20)18(16)21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyDIMFWVJNYNIEFJ-UHFFFAOYSA-N
MW333.65 g/mol
LogP6.98
Rot. Bonds2

About 1,2,3-trichloro-5-(4-phenylphenyl)benzene

1,2,3-trichloro-5-(4-phenylphenyl)benzene (PubChem CID 71394428) has the molecular formula C18H11Cl3 and a molecular weight of 333.65 g/mol. Its IUPAC name is 1,2,3-trichloro-5-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-(4-phenylphenyl)benzene
PubChem CID71394428
Molecular FormulaC18H11Cl3
Molecular Weight333.65 g/mol
Exact Mass331.99
IUPAC Name1,2,3-trichloro-5-(4-phenylphenyl)benzene
SMILESClc1cc(-c2ccc(-c3ccccc3)cc2)cc(Cl)c1Cl
InChIInChI=1S/C18H11Cl3/c19-16-10-15(11-17(20)18(16)21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyDIMFWVJNYNIEFJ-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.65
LogP ≤ 56.98
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

4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
beryllium;1,1'-biphenyl;hydride
CID 173156439
2-chloro-4-phenylbenzoic acid
CID 21487426
benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;3-chloro-2-phenylbicyclo[3.1.0]hexa-1,3,5-triene
CID 68955843

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-(4-phenylphenyl)benzene?
The IUPAC name of 1,2,3-trichloro-5-(4-phenylphenyl)benzene (CID 71394428) is 1,2,3-trichloro-5-(4-phenylphenyl)benzene.
What is the SMILES notation for 1,2,3-trichloro-5-(4-phenylphenyl)benzene?
The canonical SMILES for 1,2,3-trichloro-5-(4-phenylphenyl)benzene is Clc1cc(-c2ccc(-c3ccccc3)cc2)cc(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-5-(4-phenylphenyl)benzene?
The InChIKey is DIMFWVJNYNIEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3/c19-16-10-15(11-17(20)18(16)21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 1,2,3-trichloro-5-(4-phenylphenyl)benzene?
1,2,3-trichloro-5-(4-phenylphenyl)benzene has a molecular weight of 333.65 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-5-(4-phenylphenyl)benzene is sourced from PubChem (CID 71394428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).