2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine

C46H35N5 — CID 140895963

IUPAC2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine
SMILESCC(C)(c1cccc(-c2ccccc2)n1)c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2)n1
InChIInChI=1S/C46H35N5/c1-46(2,41-29-17-28-39(47-41)32-18-7-3-8-19-32)42-31-36(30-40(48-42)33-20-9-4-10-21-33)37-26-15-16-27-38(37)45-50-43(34-22-11-5-12-23-34)49-44(51-45)35-24-13-6-14-25-35/h3-31H,1-2H3
InChIKeyCIONMFQIGSTNEI-UHFFFAOYSA-N
MW657.82 g/mol
LogP10.99
Rot. Bonds8

About 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine (PubChem CID 140895963) has the molecular formula C46H35N5 and a molecular weight of 657.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine
PubChem CID140895963
Molecular FormulaC46H35N5
Molecular Weight657.82 g/mol
Exact Mass657.29
IUPAC Name2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine
SMILESCC(C)(c1cccc(-c2ccccc2)n1)c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2)n1
InChIInChI=1S/C46H35N5/c1-46(2,41-29-17-28-39(47-41)32-18-7-3-8-19-32)42-31-36(30-40(48-42)33-20-9-4-10-21-33)37-26-15-16-27-38(37)45-50-43(34-22-11-5-12-23-34)49-44(51-45)35-24-13-6-14-25-35/h3-31H,1-2H3
InChIKeyCIONMFQIGSTNEI-UHFFFAOYSA-N
XLogP10.99
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 164816961
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118
2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 164817190
2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162122140
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 121315643
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine (CID 140895963) is 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine is CC(C)(c1cccc(-c2ccccc2)n1)c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2)n1.
What is the InChIKey of 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine?
The InChIKey is CIONMFQIGSTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N5/c1-46(2,41-29-17-28-39(47-41)32-18-7-3-8-19-32)42-31-36(30-40(48-42)33-20-9-4-10-21-33)37-26-15-16-27-38(37)45-50-43(34-22-11-5-12-23-34)49-44(51-45)35-24-13-6-14-25-35/h3-31H,1-2H3.
What are the key properties of 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine has a molecular weight of 657.82 g/mol, XLogP of 10.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-[2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]-4-pyridinyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 140895963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).