2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine

C42H38N4 — CID 146384820

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(C4(c5ccc(C6=CCCC=N6)cc5)CCCCC4)cc3)nc(-c3ccc4ccccc4c3)n2)=CCC1
InChIInChI=1S/C42H38N4/c1-3-12-32(13-4-1)39-44-40(46-41(45-39)35-17-16-30-11-5-6-14-34(30)29-35)33-20-24-37(25-21-33)42(26-8-2-9-27-42)36-22-18-31(19-23-36)38-15-7-10-28-43-38/h3,5-6,11-25,28-29H,1-2,4,7-10,26-27H2
InChIKeySVVZIONWYPZZMR-UHFFFAOYSA-N
MW598.79 g/mol
LogP10.55
Rot. Bonds6

About 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 146384820) has the molecular formula C42H38N4 and a molecular weight of 598.79 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID146384820
Molecular FormulaC42H38N4
Molecular Weight598.79 g/mol
Exact Mass598.31
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(C4(c5ccc(C6=CCCC=N6)cc5)CCCCC4)cc3)nc(-c3ccc4ccccc4c3)n2)=CCC1
InChIInChI=1S/C42H38N4/c1-3-12-32(13-4-1)39-44-40(46-41(45-39)35-17-16-30-11-5-6-14-34(30)29-35)33-20-24-37(25-21-33)42(26-8-2-9-27-42)36-22-18-31(19-23-36)38-15-7-10-28-43-38/h3,5-6,11-25,28-29H,1-2,4,7-10,26-27H2
InChIKeySVVZIONWYPZZMR-UHFFFAOYSA-N
XLogP10.55
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

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-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384831
2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydronaphthalen-1-yl)phenyl]cyclohexyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 146384834
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[1-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-1-phenylethyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[4-[2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 159731583
2-cyclohexa-1,5-dien-1-yl-4-[3-(2-methyl-3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 174327539
2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176628692
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315629
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
2-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine (CID 146384820) is 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine is C1=CC(c2nc(-c3ccc(C4(c5ccc(C6=CCCC=N6)cc5)CCCCC4)cc3)nc(-c3ccc4ccccc4c3)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is SVVZIONWYPZZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4/c1-3-12-32(13-4-1)39-44-40(46-41(45-39)35-17-16-30-11-5-6-14-34(30)29-35)33-20-24-37(25-21-33)42(26-8-2-9-27-42)36-22-18-31(19-23-36)38-15-7-10-28-43-38/h3,5-6,11-25,28-29H,1-2,4,7-10,26-27H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 598.79 g/mol, XLogP of 10.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-[4-[1-[4-(3,4-dihydropyridin-6-yl)phenyl]cyclohexyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 146384820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).