4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine

C44H36N2 — CID 121315574

IUPAC4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H36N2/c1-4-13-34(14-5-1)41-31-42(46-43(45-41)36-15-6-2-7-16-36)35-22-26-40(27-23-35)44(28-10-3-11-29-44)39-24-20-33(21-25-39)38-19-18-32-12-8-9-17-37(32)30-38/h1-2,4-9,12-27,30-31H,3,10-11,28-29H2
InChIKeyGHPCMQVQXABHBV-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.55
Rot. Bonds6

About 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine

4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 121315574) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID121315574
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H36N2/c1-4-13-34(14-5-1)41-31-42(46-43(45-41)36-15-6-2-7-16-36)35-22-26-40(27-23-35)44(28-10-3-11-29-44)39-24-20-33(21-25-39)38-19-18-32-12-8-9-17-37(32)30-38/h1-2,4-9,12-27,30-31H,3,10-11,28-29H2
InChIKeyGHPCMQVQXABHBV-UHFFFAOYSA-N
XLogP11.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
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
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315629
4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
CID 121315538
2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176628692
4-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylethyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2,6-diphenylpyrimidine;4-naphthalen-2-yl-6-[4-[1-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]-2-phenylpyrimidine;4-naphthalen-2-yl-6-[4-[[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-diphenylmethyl]phenyl]-2-phenylpyrimidine;4-naphthalen-2-yl-6-[4-[1-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-phenylethyl]phenyl]-2-phenylpyrimidine;4-naphthalen-2-yl-6-[4-[2-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 161008870
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384808
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine (CID 121315574) is 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is GHPCMQVQXABHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-4-13-34(14-5-1)41-31-42(46-43(45-41)36-15-6-2-7-16-36)35-22-26-40(27-23-35)44(28-10-3-11-29-44)39-24-20-33(21-25-39)38-19-18-32-12-8-9-17-37(32)30-38/h1-2,4-9,12-27,30-31H,3,10-11,28-29H2.
What are the key properties of 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 592.79 g/mol, XLogP of 11.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 121315574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).