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

C45H45N9 — CID 176842988

IUPAC2-[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
SMILESCC(C)c1nc(-c2cccc(-c3nc(C(C)C)nc(C(C)C)n3)c2)nc(-c2ccc(-c3nc(-c4ccccc4)nc(C(C)C)n3)c(-c3ccccc3)c2)n1
InChIInChI=1S/C45H45N9/c1-26(2)37-46-38(27(3)4)49-42(48-37)32-20-15-21-33(24-32)43-50-39(28(5)6)51-44(53-43)34-22-23-35(36(25-34)30-16-11-9-12-17-30)45-52-40(29(7)8)47-41(54-45)31-18-13-10-14-19-31/h9-29H,1-8H3
InChIKeyFKNVCCDPYIHFMN-UHFFFAOYSA-N
MW711.92 g/mol
LogP10.74
Rot. Bonds10

About 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

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 (PubChem CID 176842988) has the molecular formula C45H45N9 and a molecular weight of 711.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID176842988
Molecular FormulaC45H45N9
Molecular Weight711.92 g/mol
Exact Mass711.38
IUPAC Name2-[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
SMILESCC(C)c1nc(-c2cccc(-c3nc(C(C)C)nc(C(C)C)n3)c2)nc(-c2ccc(-c3nc(-c4ccccc4)nc(C(C)C)n3)c(-c3ccccc3)c2)n1
InChIInChI=1S/C45H45N9/c1-26(2)37-46-38(27(3)4)49-42(48-37)32-20-15-21-33(24-32)43-50-39(28(5)6)51-44(53-43)34-22-23-35(36(25-34)30-16-11-9-12-17-30)45-52-40(29(7)8)47-41(54-45)31-18-13-10-14-19-31/h9-29H,1-8H3
InChIKeyFKNVCCDPYIHFMN-UHFFFAOYSA-N
XLogP10.74
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.92
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 166501233
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nc(-c2cccc(-c3nc(C(C)C)nc(C(C)C)n3)c2)nc(-c2ccc(-c3nc(-c4ccccc4)nc(C(C)C)n3)c(-c3ccccc3)c2)n1.
What is the InChIKey of 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?
The InChIKey is FKNVCCDPYIHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45N9/c1-26(2)37-46-38(27(3)4)49-42(48-37)32-20-15-21-33(24-32)43-50-39(28(5)6)51-44(53-43)34-22-23-35(36(25-34)30-16-11-9-12-17-30)45-52-40(29(7)8)47-41(54-45)31-18-13-10-14-19-31/h9-29H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 711.92 g/mol, XLogP of 10.74, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176842988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).