4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C95H71N5 — CID 159273767

IUPAC4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(C)cc5)c4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(C)cc5)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C48H36N2.C47H35N3/c1-33-19-23-35(24-20-33)39-15-9-17-41(27-39)43-29-44(42-18-10-16-40(28-42)36-25-21-34(2)22-26-36)31-45(30-43)47-32-46(37-11-5-3-6-12-37)49-48(50-47)38-13-7-4-8-14-38;1-32-19-23-34(24-20-32)38-15-9-17-40(27-38)42-29-43(41-18-10-16-39(28-41)35-25-21-33(2)22-26-35)31-44(30-42)47-49-45(36-11-5-3-6-12-36)48-46(50-47)37-13-7-4-8-14-37/h3-32H,1-2H3;3-31H,1-2H3
InChIKeyKYAOPGZZNOFNNT-UHFFFAOYSA-N
MW1282.65 g/mol
LogP24.92
Rot. Bonds14

About 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159273767) has the molecular formula C95H71N5 and a molecular weight of 1282.65 g/mol. Its IUPAC name is 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID159273767
Molecular FormulaC95H71N5
Molecular Weight1282.65 g/mol
Exact Mass1281.57
IUPAC Name4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(C)cc5)c4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(C)cc5)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C48H36N2.C47H35N3/c1-33-19-23-35(24-20-33)39-15-9-17-41(27-39)43-29-44(42-18-10-16-40(28-42)36-25-21-34(2)22-26-36)31-45(30-43)47-32-46(37-11-5-3-6-12-37)49-48(50-47)38-13-7-4-8-14-38;1-32-19-23-34(24-20-32)38-15-9-17-40(27-38)42-29-43(41-18-10-16-39(28-41)35-25-21-33(2)22-26-35)31-44(30-42)47-49-45(36-11-5-3-6-12-36)48-46(50-47)37-13-7-4-8-14-37/h3-32H,1-2H3;3-31H,1-2H3
InChIKeyKYAOPGZZNOFNNT-UHFFFAOYSA-N
XLogP24.92
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001282.65
LogP ≤ 524.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-phenyl-6-[4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163630452
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159273767) is 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(C)cc5)c4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.Cc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccc(C)cc5)c4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KYAOPGZZNOFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2.C47H35N3/c1-33-19-23-35(24-20-33)39-15-9-17-41(27-39)43-29-44(42-18-10-16-40(28-42)36-25-21-34(2)22-26-36)31-45(30-43)47-32-46(37-11-5-3-6-12-37)49-48(50-47)38-13-7-4-8-14-38;1-32-19-23-34(24-20-32)38-15-9-17-40(27-38)42-29-43(41-18-10-16-39(28-41)35-25-21-33(2)22-26-35)31-44(30-42)47-49-45(36-11-5-3-6-12-36)48-46(50-47)37-13-7-4-8-14-37/h3-32H,1-2H3;3-31H,1-2H3.
What are the key properties of 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1282.65 g/mol, XLogP of 24.92, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159273767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).