2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine

C42H48N4 — CID 138461260

IUPAC2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine
SMILESCCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)CC5(C)C)nc3)n2)cc1
InChIInChI=1S/C42H48N4/c1-11-40(5,6)32-20-14-28(15-21-32)37-44-36(27-12-18-31(19-13-27)39(2,3)4)45-38(46-37)30-17-23-35(43-25-30)29-16-22-33-34(24-29)42(9,10)26-41(33,7)8/h12-25H,11,26H2,1-10H3
InChIKeyOQZWHYPPNBQXSL-UHFFFAOYSA-N
MW608.87 g/mol
LogP10.88
Rot. Bonds6

About 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine

2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 138461260) has the molecular formula C42H48N4 and a molecular weight of 608.87 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine
PubChem CID138461260
Molecular FormulaC42H48N4
Molecular Weight608.87 g/mol
Exact Mass608.39
IUPAC Name2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine
SMILESCCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)CC5(C)C)nc3)n2)cc1
InChIInChI=1S/C42H48N4/c1-11-40(5,6)32-20-14-28(15-21-32)37-44-36(27-12-18-31(19-13-27)39(2,3)4)45-38(46-37)30-17-23-35(43-25-30)29-16-22-33-34(24-29)42(9,10)26-41(33,7)8/h12-25H,11,26H2,1-10H3
InChIKeyOQZWHYPPNBQXSL-UHFFFAOYSA-N
XLogP10.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.87
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine with MolForge

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Related Compounds

5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2,4-bis(4-tert-butylphenyl)-6-[6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 58280815
2,4-bis(4-tert-butylphenyl)-6-[4-fluoro-6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium
CID 140826743
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838472
2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 140826343
5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
CID 130376275
2-[6-[9-(4-hexylphenyl)-7,9-dimethylfluoren-2-yl]-3-pyridinyl]-4,6-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,3,5-triazine
CID 140941428
2,4-dimethyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;iridium
CID 140826429
6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-3-amine
CID 116525884
N,N-dimethyl-4-phenyl-6-[6-(1,1,3,3-tetramethyl-2,6-dihydroinden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazin-2-amine;iridium
CID 140826638

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine (CID 138461260) is 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine is CCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)CC5(C)C)nc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is OQZWHYPPNBQXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N4/c1-11-40(5,6)32-20-14-28(15-21-32)37-44-36(27-12-18-31(19-13-27)39(2,3)4)45-38(46-37)30-17-23-35(43-25-30)29-16-22-33-34(24-29)42(9,10)26-41(33,7)8/h12-25H,11,26H2,1-10H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine?
2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 608.87 g/mol, XLogP of 10.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 138461260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).