1,2,4-triphenylbenzene;1,3,5-triphenylbenzene

C48H36 — CID 162004033

IUPAC1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/2C24H18/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;1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h2*1-18H
InChIKeyYSOZOTFQJHRVHT-UHFFFAOYSA-N
MW612.82 g/mol
LogP13.38
Rot. Bonds6

About 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene

1,2,4-triphenylbenzene;1,3,5-triphenylbenzene (PubChem CID 162004033) has the molecular formula C48H36 and a molecular weight of 612.82 g/mol. Its IUPAC name is 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene.

Molecular Properties

Compound Name1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
PubChem CID162004033
Molecular FormulaC48H36
Molecular Weight612.82 g/mol
Exact Mass612.28
IUPAC Name1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/2C24H18/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;1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h2*1-18H
InChIKeyYSOZOTFQJHRVHT-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
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
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943793
N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene?
The IUPAC name of 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene (CID 162004033) is 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene.
What is the SMILES notation for 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene?
The canonical SMILES for 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene?
The InChIKey is YSOZOTFQJHRVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18/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;1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h2*1-18H.
What are the key properties of 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene?
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene has a molecular weight of 612.82 g/mol, XLogP of 13.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triphenylbenzene;1,3,5-triphenylbenzene is sourced from PubChem (CID 162004033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).