2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine

C44H35N — CID 172694108

IUPAC2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine
SMILESCc1ccc(-c2ccccc2-c2ccnc(-c3ccccc3-c3ccc(C)cc3)c2-c2ccccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C44H35N/c1-30-16-22-33(23-17-30)36-10-4-7-13-39(36)41-28-29-45-44(42-15-9-6-12-38(42)35-26-20-32(3)21-27-35)43(41)40-14-8-5-11-37(40)34-24-18-31(2)19-25-34/h4-29H,1-3H3
InChIKeyCBWBMPMCHPLLAW-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.01
Rot. Bonds6

About 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine

2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine (PubChem CID 172694108) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine
PubChem CID172694108
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine
SMILESCc1ccc(-c2ccccc2-c2ccnc(-c3ccccc3-c3ccc(C)cc3)c2-c2ccccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C44H35N/c1-30-16-22-33(23-17-30)36-10-4-7-13-39(36)41-28-29-45-44(42-15-9-6-12-38(42)35-26-20-32(3)21-27-35)43(41)40-14-8-5-11-37(40)34-24-18-31(2)19-25-34/h4-29H,1-3H3
InChIKeyCBWBMPMCHPLLAW-UHFFFAOYSA-N
XLogP12.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-2-pyridin-2-ylpyridine
CID 138756955
2-[2-(2-methyltriphenylen-1-yl)phenyl]-3,4-diphenylpyridine
CID 166135030
CID 158478788
CID 158478788
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
3-[2-(4-methylphenyl)phenyl]-1H-diazirine
CID 154700637
1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
1-chloroindeno[2,1-c]pyridin-9-one
CID 53485893
1-[2-(4-methylphenyl)naphthalen-1-yl]benzo[h]isoquinoline
CID 166440362
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
4-(4-methylphenyl)-3-[2-(4-methylphenyl)phenyl]-5,6-diphenylbenzene-1,2-diamine
CID 54480276

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine?
The IUPAC name of 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine (CID 172694108) is 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine?
The canonical SMILES for 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine is Cc1ccc(-c2ccccc2-c2ccnc(-c3ccccc3-c3ccc(C)cc3)c2-c2ccccc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine?
The InChIKey is CBWBMPMCHPLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-30-16-22-33(23-17-30)36-10-4-7-13-39(36)41-28-29-45-44(42-15-9-6-12-38(42)35-26-20-32(3)21-27-35)43(41)40-14-8-5-11-37(40)34-24-18-31(2)19-25-34/h4-29H,1-3H3.
What are the key properties of 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine?
2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine has a molecular weight of 577.77 g/mol, XLogP of 12.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris[2-(4-methylphenyl)phenyl]pyridine is sourced from PubChem (CID 172694108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).