2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine

C42H34N4 — CID 121315437

IUPAC2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6ccccn6)cc5)CCCCC4)cc3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C42H34N4/c1-3-13-32(14-4-1)39-44-40(46-41(45-39)37-17-11-15-30-12-5-6-16-36(30)37)33-21-25-35(26-22-33)42(27-8-2-9-28-42)34-23-19-31(20-24-34)38-18-7-10-29-43-38/h1,3-7,10-26,29H,2,8-9,27-28H2
InChIKeyWWBDLJHPDSNDRD-UHFFFAOYSA-N
MW594.76 g/mol
LogP10.34
Rot. Bonds6

About 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine (PubChem CID 121315437) has the molecular formula C42H34N4 and a molecular weight of 594.76 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
PubChem CID121315437
Molecular FormulaC42H34N4
Molecular Weight594.76 g/mol
Exact Mass594.28
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6ccccn6)cc5)CCCCC4)cc3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C42H34N4/c1-3-13-32(14-4-1)39-44-40(46-41(45-39)37-17-11-15-30-12-5-6-16-36(30)37)33-21-25-35(26-22-33)42(27-8-2-9-28-42)34-23-19-31(20-24-34)38-18-7-10-29-43-38/h1,3-7,10-26,29H,2,8-9,27-28H2
InChIKeyWWBDLJHPDSNDRD-UHFFFAOYSA-N
XLogP10.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 130392322
4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
CID 121315538
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315629
2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
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-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
CID 123884226
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
2-[4-[1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-1-ylpyrimidine;2-[4-[2-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-1-ylpyrimidine;4-phenyl-2-[4-[1-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]-6-pyridin-3-ylpyrimidine;4-phenyl-2-[4-[2-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-6-pyridin-2-ylpyrimidine;4-phenyl-2-[4-[1-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-ylpyrimidine;4-phenyl-2-[4-[2-[4-(4-phenyl-6-thiophen-2-ylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-6-thiophen-2-ylpyrimidine
CID 158849277
2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384801

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine (CID 121315437) is 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6ccccn6)cc5)CCCCC4)cc3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine?
The InChIKey is WWBDLJHPDSNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4/c1-3-13-32(14-4-1)39-44-40(46-41(45-39)37-17-11-15-30-12-5-6-16-36(30)37)33-21-25-35(26-22-33)42(27-8-2-9-28-42)34-23-19-31(20-24-34)38-18-7-10-29-43-38/h1,3-7,10-26,29H,2,8-9,27-28H2.
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine has a molecular weight of 594.76 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 121315437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).