2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine

C60H46N2 — CID 130380039

IUPAC2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
SMILESCc1ccccc1-c1ccccc1-c1ccccc1-c1cc(C2=CCC(c3nc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)n3)C=C2)ccc1C
InChIInChI=1S/C60H46N2/c1-41-15-9-10-20-52(41)53-21-11-12-22-54(53)55-23-13-14-24-56(55)57-39-51(26-25-42(57)2)47-31-37-50(38-32-47)60-61-58(48-33-27-45(28-34-48)43-16-5-3-6-17-43)40-59(62-60)49-35-29-46(30-36-49)44-18-7-4-8-19-44/h3-37,39-40,50H,38H2,1-2H3
InChIKeyHVWNABFOYRNDSD-UHFFFAOYSA-N
MW795.04 g/mol
LogP15.89
Rot. Bonds9

About 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine

2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine (PubChem CID 130380039) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
PubChem CID130380039
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine
SMILESCc1ccccc1-c1ccccc1-c1ccccc1-c1cc(C2=CCC(c3nc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)n3)C=C2)ccc1C
InChIInChI=1S/C60H46N2/c1-41-15-9-10-20-52(41)53-21-11-12-22-54(53)55-23-13-14-24-56(55)57-39-51(26-25-42(57)2)47-31-37-50(38-32-47)60-61-58(48-33-27-45(28-34-48)43-16-5-3-6-17-43)40-59(62-60)49-35-29-46(30-36-49)44-18-7-4-8-19-44/h3-37,39-40,50H,38H2,1-2H3
InChIKeyHVWNABFOYRNDSD-UHFFFAOYSA-N
XLogP15.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-phenanthren-9-ylphenyl)-2-(4-phenylcyclohexa-2,4-dien-1-yl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 129044308
4-(4-chlorocyclohexa-1,5-dien-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146352346
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
2-methyl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-phenylpyrimidine
CID 138509773
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
CID 166903112
2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine
CID 59609388
9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217
2-naphthalen-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 170424272
4-[9',9'-dimethyl-6-[4-[4-(3-phenylphenyl)cyclohexa-1,5-dien-1-yl]phenyl]spiro[7,8-dihydrofluorene-9,10'-anthracene]-4-yl]-2,6-diphenylpyrimidine
CID 155475733
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 134407069
2-[4-[6-[4-(1,3-benzothiazol-2-yl)cyclohexa-1,5-dien-1-yl]-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 170047525
4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 159878535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine (CID 130380039) is 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine is Cc1ccccc1-c1ccccc1-c1ccccc1-c1cc(C2=CCC(c3nc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)n3)C=C2)ccc1C.
What is the InChIKey of 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine?
The InChIKey is HVWNABFOYRNDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-41-15-9-10-20-52(41)53-21-11-12-22-54(53)55-23-13-14-24-56(55)57-39-51(26-25-42(57)2)47-31-37-50(38-32-47)60-61-58(48-33-27-45(28-34-48)43-16-5-3-6-17-43)40-59(62-60)49-35-29-46(30-36-49)44-18-7-4-8-19-44/h3-37,39-40,50H,38H2,1-2H3.
What are the key properties of 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine?
2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine has a molecular weight of 795.04 g/mol, XLogP of 15.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]cyclohexa-2,4-dien-1-yl]-4,6-bis(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 130380039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).