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

C35H32N4 — CID 146384831

IUPAC2-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
SMILESCC(C)(c1ccc(C2=CCCC=N2)cc1)c1ccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H32N4/c1-35(2,29-20-16-25(17-21-29)31-15-9-10-24-36-31)30-22-18-28(19-23-30)34-38-32(26-11-5-3-6-12-26)37-33(39-34)27-13-7-4-8-14-27/h3,5-7,11-24H,4,8-10H2,1-2H3
InChIKeyADINEBXKSGHNND-UHFFFAOYSA-N
MW508.67 g/mol
LogP8.47
Rot. Bonds6

About 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

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 (PubChem CID 146384831) has the molecular formula C35H32N4 and a molecular weight of 508.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID146384831
Molecular FormulaC35H32N4
Molecular Weight508.67 g/mol
Exact Mass508.26
IUPAC Name2-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
SMILESCC(C)(c1ccc(C2=CCCC=N2)cc1)c1ccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C35H32N4/c1-35(2,29-20-16-25(17-21-29)31-15-9-10-24-36-31)30-22-18-28(19-23-30)34-38-32(26-11-5-3-6-12-26)37-33(39-34)27-13-7-4-8-14-27/h3,5-7,11-24H,4,8-10H2,1-2H3
InChIKeyADINEBXKSGHNND-UHFFFAOYSA-N
XLogP8.47
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccc(C2=CCCC=N2)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-(3,4-dihydropyridin-6-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is ADINEBXKSGHNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4/c1-35(2,29-20-16-25(17-21-29)31-15-9-10-24-36-31)30-22-18-28(19-23-30)34-38-32(26-11-5-3-6-12-26)37-33(39-34)27-13-7-4-8-14-27/h3,5-7,11-24H,4,8-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 508.67 g/mol, XLogP of 8.47, 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-[2-[4-(3,4-dihydropyridin-6-yl)phenyl]propan-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146384831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).