2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine

C36H36N4 — CID 118857536

IUPAC2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESCc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1
InChIInChI=1S/C36H36N4/c1-23-13-11-12-16-27(23)33-39-31(24-14-9-8-10-15-24)38-32(40-33)26-18-20-30(37-22-26)25-17-19-28-29(21-25)35(4,5)36(6,7)34(28,2)3/h8-22H,1-7H3
InChIKeyNBQBHCQUQZNIKA-UHFFFAOYSA-N
MW524.71 g/mol
LogP8.84
Rot. Bonds4

About 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine

2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 118857536) has the molecular formula C36H36N4 and a molecular weight of 524.71 g/mol. Its IUPAC name is 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID118857536
Molecular FormulaC36H36N4
Molecular Weight524.71 g/mol
Exact Mass524.29
IUPAC Name2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
SMILESCc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1
InChIInChI=1S/C36H36N4/c1-23-13-11-12-16-27(23)33-39-31(24-14-9-8-10-15-24)38-32(40-33)26-18-20-30(37-22-26)25-17-19-28-29(21-25)35(4,5)36(6,7)34(28,2)3/h8-22H,1-7H3
InChIKeyNBQBHCQUQZNIKA-UHFFFAOYSA-N
XLogP8.84
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine
CID 130376249
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-methyl-6-phenylsulfanyl-1,3,5-triazine
CID 118857458
2-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-3-pyridinyl]-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 130376269
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;iridium
CID 140826744
5-[2-(3,5-dimethylphenyl)-3-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 153422803
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
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
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4-phenyl-6-pyridin-4-yl-1,3,5-triazine;iridium
CID 140826708
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine (CID 118857536) is 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine is Cc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.
What is the InChIKey of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is NBQBHCQUQZNIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4/c1-23-13-11-12-16-27(23)33-39-31(24-14-9-8-10-15-24)38-32(40-33)26-18-20-30(37-22-26)25-17-19-28-29(21-25)35(4,5)36(6,7)34(28,2)3/h8-22H,1-7H3.
What are the key properties of 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine?
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 524.71 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118857536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).