2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine

C117H90N18 — CID 159313177

IUPAC2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cn4)nc(-c4ccc(-c5ccccc5)cn4)n3)nc2)cc1.Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4ccc(-c5ccccn5)nc4)n3)cn2)nc1
InChIInChI=1S/C43H35N3.C40H32N6.C34H23N9/c1-43(2,3)39-28-26-35(27-29-39)34-18-24-38(25-19-34)42-45-40(36-20-14-32(15-21-36)30-10-6-4-7-11-30)44-41(46-42)37-22-16-33(17-23-37)31-12-8-5-9-13-31;1-40(2,3)33-19-14-29(15-20-33)32-18-23-36(43-26-32)39-45-37(34-21-16-30(24-41-34)27-10-6-4-7-11-27)44-38(46-39)35-22-17-31(25-42-35)28-12-8-5-9-13-28;1-22-8-12-28(37-18-22)31-15-11-25(21-40-31)34-42-32(23-9-13-29(38-19-23)26-6-2-4-16-35-26)41-33(43-34)24-10-14-30(39-20-24)27-7-3-5-17-36-27/h4-29H,1-3H3;4-26H,1-3H3;2-21H,1H3
InChIKeyLCUOIHCYGDCCOC-UHFFFAOYSA-N
MW1748.13 g/mol
LogP27.08
Rot. Bonds18

About 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine

2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 159313177) has the molecular formula C117H90N18 and a molecular weight of 1748.13 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine
PubChem CID159313177
Molecular FormulaC117H90N18
Molecular Weight1748.13 g/mol
Exact Mass1746.76
IUPAC Name2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine
SMILESCC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cn4)nc(-c4ccc(-c5ccccc5)cn4)n3)nc2)cc1.Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4ccc(-c5ccccn5)nc4)n3)cn2)nc1
InChIInChI=1S/C43H35N3.C40H32N6.C34H23N9/c1-43(2,3)39-28-26-35(27-29-39)34-18-24-38(25-19-34)42-45-40(36-20-14-32(15-21-36)30-10-6-4-7-11-30)44-41(46-42)37-22-16-33(17-23-37)31-12-8-5-9-13-31;1-40(2,3)33-19-14-29(15-20-33)32-18-23-36(43-26-32)39-45-37(34-21-16-30(24-41-34)27-10-6-4-7-11-27)44-38(46-39)35-22-17-31(25-42-35)28-12-8-5-9-13-28;1-22-8-12-28(37-18-22)31-15-11-25(21-40-31)34-42-32(23-9-13-29(38-19-23)26-6-2-4-16-35-26)41-33(43-34)24-10-14-30(39-20-24)27-7-3-5-17-36-27/h4-29H,1-3H3;4-26H,1-3H3;2-21H,1H3
InChIKeyLCUOIHCYGDCCOC-UHFFFAOYSA-N
XLogP27.08
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.13
LogP ≤ 527.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-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-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium(3+);bis(2-phenylpyridine)
CID 59156326
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
2,4-diphenyl-6-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 165168236
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
CID 158347101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine (CID 159313177) is 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine is CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.CC(C)(C)c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cn4)nc(-c4ccc(-c5ccccc5)cn4)n3)nc2)cc1.Cc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)nc4)nc(-c4ccc(-c5ccccn5)nc4)n3)cn2)nc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine?
The InChIKey is LCUOIHCYGDCCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3.C40H32N6.C34H23N9/c1-43(2,3)39-28-26-35(27-29-39)34-18-24-38(25-19-34)42-45-40(36-20-14-32(15-21-36)30-10-6-4-7-11-30)44-41(46-42)37-22-16-33(17-23-37)31-12-8-5-9-13-31;1-40(2,3)33-19-14-29(15-20-33)32-18-23-36(43-26-32)39-45-37(34-21-16-30(24-41-34)27-10-6-4-7-11-27)44-38(46-39)35-22-17-31(25-42-35)28-12-8-5-9-13-28;1-22-8-12-28(37-18-22)31-15-11-25(21-40-31)34-42-32(23-9-13-29(38-19-23)26-6-2-4-16-35-26)41-33(43-34)24-10-14-30(39-20-24)27-7-3-5-17-36-27/h4-29H,1-3H3;4-26H,1-3H3;2-21H,1H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine?
2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine has a molecular weight of 1748.13 g/mol, XLogP of 27.08, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[5-(4-tert-butylphenyl)-2-pyridinyl]-4,6-bis(5-phenyl-2-pyridinyl)-1,3,5-triazine;2-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-4,6-bis(6-pyridin-2-yl-3-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 159313177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).