2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C43H32N4 — CID 144734254

IUPAC2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4C=CCC5)c3)c2)ccn1
InChIInChI=1S/C43H32N4/c1-29-24-35(22-23-44-29)33-18-10-19-34(25-33)36-26-37(40-21-11-17-30-12-8-9-20-39(30)40)28-38(27-36)43-46-41(31-13-4-2-5-14-31)45-42(47-43)32-15-6-3-7-16-32/h2-7,9-11,13-28H,8,12H2,1H3
InChIKeySBCACWQDDMVMGX-UHFFFAOYSA-N
MW604.76 g/mol
LogP10.54
Rot. Bonds6

About 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144734254) has the molecular formula C43H32N4 and a molecular weight of 604.76 g/mol. Its IUPAC name is 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144734254
Molecular FormulaC43H32N4
Molecular Weight604.76 g/mol
Exact Mass604.26
IUPAC Name2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4C=CCC5)c3)c2)ccn1
InChIInChI=1S/C43H32N4/c1-29-24-35(22-23-44-29)33-18-10-19-34(25-33)36-26-37(40-21-11-17-30-12-8-9-20-39(30)40)28-38(27-36)43-46-41(31-13-4-2-5-14-31)45-42(47-43)32-15-6-3-7-16-32/h2-7,9-11,13-28H,8,12H2,1H3
InChIKeySBCACWQDDMVMGX-UHFFFAOYSA-N
XLogP10.54
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.76
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734393
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734376
butane;2-[3-(5,6-dihydronaphthalen-2-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 144734508
2-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170008977
2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 153394371
4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidine
CID 166977802
4-(3,5-diphenylphenyl)-1H-indene
CID 22471910
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
2-[3-[4-ethyl-3-[(Z)-prop-1-enyl]-5,6-dihydronaphthalen-2-yl]-5-[3-(2-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734293
3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170022525
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
9-[3-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]quinazolin-2-yl]phenyl]-1,3,6-triphenylcarbazole
CID 144834685

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 144734254) is 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4C=CCC5)c3)c2)ccn1.
What is the InChIKey of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SBCACWQDDMVMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4/c1-29-24-35(22-23-44-29)33-18-10-19-34(25-33)36-26-37(40-21-11-17-30-12-8-9-20-39(30)40)28-38(27-36)43-46-41(31-13-4-2-5-14-31)45-42(47-43)32-15-6-3-7-16-32/h2-7,9-11,13-28H,8,12H2,1H3.
What are the key properties of 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 604.76 g/mol, XLogP of 10.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144734254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).