2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C29H38N6 — CID 3876501

IUPAC2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N(c2ccccc2)c2ccccc2)nc(N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C29H38N6/c1-33(2)27-30-28(34(23-15-7-3-8-16-23)24-17-9-4-10-18-24)32-29(31-27)35(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-4,7-10,15-18,25-26H,5-6,11-14,19-22H2,1-2H3
InChIKeyWOUIRDTVVISQJJ-UHFFFAOYSA-N
MW470.67 g/mol
LogP6.88
Rot. Bonds7

About 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 3876501) has the molecular formula C29H38N6 and a molecular weight of 470.67 g/mol. Its IUPAC name is 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID3876501
Molecular FormulaC29H38N6
Molecular Weight470.67 g/mol
Exact Mass470.32
IUPAC Name2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N(c2ccccc2)c2ccccc2)nc(N(C2CCCCC2)C2CCCCC2)n1
InChIInChI=1S/C29H38N6/c1-33(2)27-30-28(34(23-15-7-3-8-16-23)24-17-9-4-10-18-24)32-29(31-27)35(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-4,7-10,15-18,25-26H,5-6,11-14,19-22H2,1-2H3
InChIKeyWOUIRDTVVISQJJ-UHFFFAOYSA-N
XLogP6.88
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.67
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

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CID 1417488
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CID 16084
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CID 629324
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CID 3786064
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CID 714958
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CID 11270270
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CID 712290
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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 3876501) is 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N(c2ccccc2)c2ccccc2)nc(N(C2CCCCC2)C2CCCCC2)n1.
What is the InChIKey of 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WOUIRDTVVISQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6/c1-33(2)27-30-28(34(23-15-7-3-8-16-23)24-17-9-4-10-18-24)32-29(31-27)35(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-4,7-10,15-18,25-26H,5-6,11-14,19-22H2,1-2H3.
What are the key properties of 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 470.67 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dicyclohexyl-6-N,6-N-dimethyl-4-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 3876501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).