2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine

C43H32N2 — CID 130304884

IUPAC2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine
SMILESCC(C)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C43H32N2/c1-43(2,33-15-7-4-8-16-33)40-28-44-42(31-13-5-3-6-14-31)45-41(40)30-23-21-29(22-24-30)32-25-26-38-36-19-10-9-17-34(36)35-18-11-12-20-37(35)39(38)27-32/h3-28H,1-2H3
InChIKeyOMOQIWCSBXOLQO-UHFFFAOYSA-N
MW576.74 g/mol
LogP11.26
Rot. Bonds5

About 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine

2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine (PubChem CID 130304884) has the molecular formula C43H32N2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine
PubChem CID130304884
Molecular FormulaC43H32N2
Molecular Weight576.74 g/mol
Exact Mass576.26
IUPAC Name2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine
SMILESCC(C)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C43H32N2/c1-43(2,33-15-7-4-8-16-33)40-28-44-42(31-13-5-3-6-14-31)45-41(40)30-23-21-29(22-24-30)32-25-26-38-36-19-10-9-17-34(36)35-18-11-12-20-37(35)39(38)27-32/h3-28H,1-2H3
InChIKeyOMOQIWCSBXOLQO-UHFFFAOYSA-N
XLogP11.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine
CID 170520847
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 167363670
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
2,4-diphenyl-7-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397380
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine?
The IUPAC name of 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine (CID 130304884) is 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine is CC(C)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine?
The InChIKey is OMOQIWCSBXOLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2/c1-43(2,33-15-7-4-8-16-33)40-28-44-42(31-13-5-3-6-14-31)45-41(40)30-23-21-29(22-24-30)32-25-26-38-36-19-10-9-17-34(36)35-18-11-12-20-37(35)39(38)27-32/h3-28H,1-2H3.
What are the key properties of 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine?
2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine has a molecular weight of 576.74 g/mol, XLogP of 11.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2-phenylpropan-2-yl)-4-(4-triphenylen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 130304884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).