4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine

C39H33N3 — CID 121315538

IUPAC4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccccn6)cc5)CCCCC4)cc3)n2)cc1
InChIInChI=1S/C39H33N3/c1-4-12-29(13-5-1)36-28-37(30-14-6-2-7-15-30)42-38(41-36)32-19-23-34(24-20-32)39(25-9-3-10-26-39)33-21-17-31(18-22-33)35-16-8-11-27-40-35/h1-2,4-8,11-24,27-28H,3,9-10,25-26H2
InChIKeyFPLPBVHMAVLNFF-UHFFFAOYSA-N
MW543.71 g/mol
LogP9.79
Rot. Bonds6

About 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine

4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine (PubChem CID 121315538) has the molecular formula C39H33N3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
PubChem CID121315538
Molecular FormulaC39H33N3
Molecular Weight543.71 g/mol
Exact Mass543.27
IUPAC Name4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccccn6)cc5)CCCCC4)cc3)n2)cc1
InChIInChI=1S/C39H33N3/c1-4-12-29(13-5-1)36-28-37(30-14-6-2-7-15-30)42-38(41-36)32-19-23-34(24-20-32)39(25-9-3-10-26-39)33-21-17-31(18-22-33)35-16-8-11-27-40-35/h1-2,4-8,11-24,27-28H,3,9-10,25-26H2
InChIKeyFPLPBVHMAVLNFF-UHFFFAOYSA-N
XLogP9.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 130392322
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 163572145
2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 130392354
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine (CID 121315538) is 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccccn6)cc5)CCCCC4)cc3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine?
The InChIKey is FPLPBVHMAVLNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3/c1-4-12-29(13-5-1)36-28-37(30-14-6-2-7-15-30)42-38(41-36)32-19-23-34(24-20-32)39(25-9-3-10-26-39)33-21-17-31(18-22-33)35-16-8-11-27-40-35/h1-2,4-8,11-24,27-28H,3,9-10,25-26H2.
What are the key properties of 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine?
4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine has a molecular weight of 543.71 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine is sourced from PubChem (CID 121315538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).