8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline

C43H35N3 — CID 121315569

IUPAC8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H35N3/c1-4-12-32(13-5-1)39-30-40(46-42(45-39)35-14-6-2-7-15-35)33-21-25-37(26-22-33)43(27-8-3-9-28-43)36-23-19-31(20-24-36)38-18-10-16-34-17-11-29-44-41(34)38/h1-2,4-7,10-26,29-30H,3,8-9,27-28H2
InChIKeyBFGBEJRHXCJLAQ-UHFFFAOYSA-N
MW593.77 g/mol
LogP10.94
Rot. Bonds6

About 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline

8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline (PubChem CID 121315569) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
PubChem CID121315569
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H35N3/c1-4-12-32(13-5-1)39-30-40(46-42(45-39)35-14-6-2-7-15-35)33-21-25-37(26-22-33)43(27-8-3-9-28-43)36-23-19-31(20-24-36)38-18-10-16-34-17-11-29-44-41(34)38/h1-2,4-7,10-26,29-30H,3,8-9,27-28H2
InChIKeyBFGBEJRHXCJLAQ-UHFFFAOYSA-N
XLogP10.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline
CID 130392474
8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315542
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
CID 121315538
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
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-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267
2,4-diphenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)pyrimidine
CID 161309935
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline?
The IUPAC name of 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline (CID 121315569) is 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline?
The canonical SMILES for 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline is c1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline?
The InChIKey is BFGBEJRHXCJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-4-12-32(13-5-1)39-30-40(46-42(45-39)35-14-6-2-7-15-35)33-21-25-37(26-22-33)43(27-8-3-9-28-43)36-23-19-31(20-24-36)38-18-10-16-34-17-11-29-44-41(34)38/h1-2,4-7,10-26,29-30H,3,8-9,27-28H2.
What are the key properties of 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline?
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline has a molecular weight of 593.77 g/mol, XLogP of 10.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline is sourced from PubChem (CID 121315569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).