2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine

C39H47N9 — CID 176842869

IUPAC2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc(-c3nc(C(C)C)nc(C4CCCCC4)n3)cc2)nc(-c2cccc(-c3nc(C(C)C)nc(C(C)C)n3)c2)n1
InChIInChI=1S/C39H47N9/c1-22(2)31-40-32(23(3)4)45-38(44-31)29-15-12-16-30(21-29)39-46-34(25(7)8)43-37(48-39)28-19-17-27(18-20-28)36-42-33(24(5)6)41-35(47-36)26-13-10-9-11-14-26/h12,15-26H,9-11,13-14H2,1-8H3
InChIKeyWRRODEYIQFQJPD-UHFFFAOYSA-N
MW641.87 g/mol
LogP9.45
Rot. Bonds9

About 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine

2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine (PubChem CID 176842869) has the molecular formula C39H47N9 and a molecular weight of 641.87 g/mol. Its IUPAC name is 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine
PubChem CID176842869
Molecular FormulaC39H47N9
Molecular Weight641.87 g/mol
Exact Mass641.40
IUPAC Name2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc(-c3nc(C(C)C)nc(C4CCCCC4)n3)cc2)nc(-c2cccc(-c3nc(C(C)C)nc(C(C)C)n3)c2)n1
InChIInChI=1S/C39H47N9/c1-22(2)31-40-32(23(3)4)45-38(44-31)29-15-12-16-30(21-29)39-46-34(25(7)8)43-37(48-39)28-19-17-27(18-20-28)36-42-33(24(5)6)41-35(47-36)26-13-10-9-11-14-26/h12,15-26H,9-11,13-14H2,1-8H3
InChIKeyWRRODEYIQFQJPD-UHFFFAOYSA-N
XLogP9.45
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.87
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843198
2,4-bis[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 176842994
2-cyclohexyl-4-(3-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439517
2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-phenyl-4-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-6-propan-2-yl-1,3,5-triazine
CID 176842988
4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 63867917
2-(4-cyclohexylphenyl)-4-[3-[2-[3-[4-(4-cyclohexylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 168843560
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 176843141
4-cycloheptyl-6-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867173
4-cyclohexyl-6-(4-ethylphenyl)-1,3,5-triazin-2-amine
CID 63867166
2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine
CID 176842945

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine (CID 176842869) is 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine is CC(C)c1nc(-c2ccc(-c3nc(C(C)C)nc(C4CCCCC4)n3)cc2)nc(-c2cccc(-c3nc(C(C)C)nc(C(C)C)n3)c2)n1.
What is the InChIKey of 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine?
The InChIKey is WRRODEYIQFQJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N9/c1-22(2)31-40-32(23(3)4)45-38(44-31)29-15-12-16-30(21-29)39-46-34(25(7)8)43-37(48-39)28-19-17-27(18-20-28)36-42-33(24(5)6)41-35(47-36)26-13-10-9-11-14-26/h12,15-26H,9-11,13-14H2,1-8H3.
What are the key properties of 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine?
2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine has a molecular weight of 641.87 g/mol, XLogP of 9.45, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[4-[4-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 176842869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).