1,3,5-triphenylbenzene;trihydrochloride

C24H21Cl3 — CID 172862781

IUPAC1,3,5-triphenylbenzene;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18.3ClH/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;;;/h1-18H;3*1H
InChIKeyZOSFGRHSJYHDQF-UHFFFAOYSA-N
MW415.79 g/mol
LogP7.95
Rot. Bonds3

About 1,3,5-triphenylbenzene;trihydrochloride

1,3,5-triphenylbenzene;trihydrochloride (PubChem CID 172862781) has the molecular formula C24H21Cl3 and a molecular weight of 415.79 g/mol. Its IUPAC name is 1,3,5-triphenylbenzene;trihydrochloride.

Molecular Properties

Compound Name1,3,5-triphenylbenzene;trihydrochloride
PubChem CID172862781
Molecular FormulaC24H21Cl3
Molecular Weight415.79 g/mol
Exact Mass414.07
IUPAC Name1,3,5-triphenylbenzene;trihydrochloride
SMILESCl.Cl.Cl.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18.3ClH/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;;;/h1-18H;3*1H
InChIKeyZOSFGRHSJYHDQF-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.79
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
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-(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-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1,1'-biphenyl;λ2-stannane;dihydrochloride
CID 173025942
benzene;tris(1,1'-biphenyl)
CID 162155747
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylbenzene;trihydrochloride?
The IUPAC name of 1,3,5-triphenylbenzene;trihydrochloride (CID 172862781) is 1,3,5-triphenylbenzene;trihydrochloride.
What is the SMILES notation for 1,3,5-triphenylbenzene;trihydrochloride?
The canonical SMILES for 1,3,5-triphenylbenzene;trihydrochloride is Cl.Cl.Cl.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3,5-triphenylbenzene;trihydrochloride?
The InChIKey is ZOSFGRHSJYHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.3ClH/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21;;;/h1-18H;3*1H.
What are the key properties of 1,3,5-triphenylbenzene;trihydrochloride?
1,3,5-triphenylbenzene;trihydrochloride has a molecular weight of 415.79 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylbenzene;trihydrochloride is sourced from PubChem (CID 172862781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).