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

C31H34N4 — CID 130376249

IUPAC2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(Cc2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1
InChIInChI=1S/C31H34N4/c1-20-33-27(17-21-11-9-8-10-12-21)35-28(34-20)23-14-16-26(32-19-23)22-13-15-24-25(18-22)30(4,5)31(6,7)29(24,2)3/h8-16,18-19H,17H2,1-7H3
InChIKeyKJKMZBIGEHVDCM-UHFFFAOYSA-N
MW462.64 g/mol
LogP7.09
Rot. Bonds4

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

2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine (PubChem CID 130376249) has the molecular formula C31H34N4 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine
PubChem CID130376249
Molecular FormulaC31H34N4
Molecular Weight462.64 g/mol
Exact Mass462.28
IUPAC Name2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(Cc2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1
InChIInChI=1S/C31H34N4/c1-20-33-27(17-21-11-9-8-10-12-21)35-28(34-20)23-14-16-26(32-19-23)22-13-15-24-25(18-22)30(4,5)31(6,7)29(24,2)3/h8-16,18-19H,17H2,1-7H3
InChIKeyKJKMZBIGEHVDCM-UHFFFAOYSA-N
XLogP7.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

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-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537
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
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
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(1-adamantyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazine
CID 130376256
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-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2-tert-butyl-5-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826470

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine?
The IUPAC name of 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine (CID 130376249) is 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine is Cc1nc(Cc2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)C(C)(C)C4(C)C)nc2)n1.
What is the InChIKey of 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine?
The InChIKey is KJKMZBIGEHVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4/c1-20-33-27(17-21-11-9-8-10-12-21)35-28(34-20)23-14-16-26(32-19-23)22-13-15-24-25(18-22)30(4,5)31(6,7)29(24,2)3/h8-16,18-19H,17H2,1-7H3.
What are the key properties of 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine?
2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine has a molecular weight of 462.64 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-6-methyl-1,3,5-triazine is sourced from PubChem (CID 130376249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).