2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine

C38H32N2 — CID 59552735

IUPAC2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
SMILESCc1cc(C)cc(-c2cccc(-c3ccc(-c4ncccn4)cc3-c3cccc(-c4cc(C)cc(C)c4)c3)c2)c1
InChIInChI=1S/C38H32N2/c1-25-16-26(2)19-34(18-25)29-8-5-10-31(22-29)36-13-12-33(38-39-14-7-15-40-38)24-37(36)32-11-6-9-30(23-32)35-20-27(3)17-28(4)21-35/h5-24H,1-4H3
InChIKeyGYXRBXBGBQHDQJ-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.05
Rot. Bonds5

About 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine

2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine (PubChem CID 59552735) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
PubChem CID59552735
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
SMILESCc1cc(C)cc(-c2cccc(-c3ccc(-c4ncccn4)cc3-c3cccc(-c4cc(C)cc(C)c4)c3)c2)c1
InChIInChI=1S/C38H32N2/c1-25-16-26(2)19-34(18-25)29-8-5-10-31(22-29)36-13-12-33(38-39-14-7-15-40-38)24-37(36)32-11-6-9-30(23-32)35-20-27(3)17-28(4)21-35/h5-24H,1-4H3
InChIKeyGYXRBXBGBQHDQJ-UHFFFAOYSA-N
XLogP10.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]methylphosphane
CID 126680633

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine (CID 59552735) is 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine is Cc1cc(C)cc(-c2cccc(-c3ccc(-c4ncccn4)cc3-c3cccc(-c4cc(C)cc(C)c4)c3)c2)c1.
What is the InChIKey of 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
The InChIKey is GYXRBXBGBQHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-25-16-26(2)19-34(18-25)29-8-5-10-31(22-29)36-13-12-33(38-39-14-7-15-40-38)24-37(36)32-11-6-9-30(23-32)35-20-27(3)17-28(4)21-35/h5-24H,1-4H3.
What are the key properties of 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine?
2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine has a molecular weight of 516.69 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 59552735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).