2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C40H35N3 — CID 146384941

IUPAC2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCC(C)(c1ccc(-c2ccc3c(c2)C=CCC3)cc1)c1ccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H35N3/c1-40(2,35-23-19-29(20-24-35)34-18-17-28-11-9-10-16-33(28)27-34)36-25-21-32(22-26-36)39-42-37(30-12-5-3-6-13-30)41-38(43-39)31-14-7-4-8-15-31/h3,5-7,10,12-27H,4,8-9,11H2,1-2H3
InChIKeyVZORSOZEGWTFAR-UHFFFAOYSA-N
MW557.74 g/mol
LogP9.89
Rot. Bonds6

About 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146384941) has the molecular formula C40H35N3 and a molecular weight of 557.74 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID146384941
Molecular FormulaC40H35N3
Molecular Weight557.74 g/mol
Exact Mass557.28
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCC(C)(c1ccc(-c2ccc3c(c2)C=CCC3)cc1)c1ccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H35N3/c1-40(2,35-23-19-29(20-24-35)34-18-17-28-11-9-10-16-33(28)27-34)36-25-21-32(22-26-36)39-42-37(30-12-5-3-6-13-30)41-38(43-39)31-14-7-4-8-15-31/h3,5-7,10,12-27H,4,8-9,11H2,1-2H3
InChIKeyVZORSOZEGWTFAR-UHFFFAOYSA-N
XLogP9.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-[4-[3-[4-(5,6-dihydronaphthalen-2-yl)phenyl]pentan-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384673
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-phenylphenyl)-6-[4-[4-[4-(3-phenylphenyl)phenyl]heptan-4-yl]phenyl]-1,3,5-triazine
CID 146384916
8-[4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-5,6-dihydroquinoline
CID 146384757
2-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-6-[4-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]pentan-3-yl]phenyl]pyrimidine
CID 146384972
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene
CID 130351406
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
8-[4-[3-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]pentan-3-yl]phenyl]-5,6-dihydroquinoline
CID 146384742
[3-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl] trifluoromethanesulfonate
CID 145233243

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 146384941) is 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine is CC(C)(c1ccc(-c2ccc3c(c2)C=CCC3)cc1)c1ccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is VZORSOZEGWTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N3/c1-40(2,35-23-19-29(20-24-35)34-18-17-28-11-9-10-16-33(28)27-34)36-25-21-32(22-26-36)39-42-37(30-12-5-3-6-13-30)41-38(43-39)31-14-7-4-8-15-31/h3,5-7,10,12-27H,4,8-9,11H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 557.74 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-[4-[2-[4-(5,6-dihydronaphthalen-2-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146384941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).