1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine

C134H88N18 — CID 164974564

IUPAC1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)cc2)ccn1.c1cc(-c2ccncc2)cc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)n2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)c2)cc1
InChIInChI=1S/C51H33N5.C42H28N6.C41H27N7/c1-3-13-34(14-4-1)38-19-11-21-40(29-38)49-54-50(41-22-12-20-39(30-41)35-15-5-2-6-16-35)56-51(55-49)44-32-42(47-45-23-9-7-17-36(45)25-27-52-47)31-43(33-44)48-46-24-10-8-18-37(46)26-28-53-48;1-5-35(6-2-29(1)31-9-17-43-18-10-31)40-28-41(36-7-3-30(4-8-36)32-11-19-44-20-12-32)48-42(47-40)39-26-37(33-13-21-45-22-14-33)25-38(27-39)34-15-23-46-24-16-34;1-3-32(28-7-15-42-16-8-28)23-34(5-1)39-46-40(35-6-2-4-33(24-35)29-9-17-43-18-10-29)48-41(47-39)38-26-36(30-11-19-44-20-12-30)25-37(27-38)31-13-21-45-22-14-31/h1-33H;1-28H;1-27H
InChIKeyDOYYSPAZUMZXKA-UHFFFAOYSA-N
MW1950.30 g/mol
LogP31.48
Rot. Bonds21

About 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine

1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 164974564) has the molecular formula C134H88N18 and a molecular weight of 1950.30 g/mol. Its IUPAC name is 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID164974564
Molecular FormulaC134H88N18
Molecular Weight1950.30 g/mol
Exact Mass1948.74
IUPAC Name1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)cc2)ccn1.c1cc(-c2ccncc2)cc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)n2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)c2)cc1
InChIInChI=1S/C51H33N5.C42H28N6.C41H27N7/c1-3-13-34(14-4-1)38-19-11-21-40(29-38)49-54-50(41-22-12-20-39(30-41)35-15-5-2-6-16-35)56-51(55-49)44-32-42(47-45-23-9-7-17-36(45)25-27-52-47)31-43(33-44)48-46-24-10-8-18-37(46)26-28-53-48;1-5-35(6-2-29(1)31-9-17-43-18-10-31)40-28-41(36-7-3-30(4-8-36)32-11-19-44-20-12-32)48-42(47-40)39-26-37(33-13-21-45-22-14-33)25-38(27-39)34-15-23-46-24-16-34;1-3-32(28-7-15-42-16-8-28)23-34(5-1)39-46-40(35-6-2-4-33(24-35)29-9-17-43-18-10-29)48-41(47-39)38-26-36(30-11-19-44-20-12-30)25-37(27-38)31-13-21-45-22-14-31/h1-33H;1-28H;1-27H
InChIKeyDOYYSPAZUMZXKA-UHFFFAOYSA-N
XLogP31.48
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.30
LogP ≤ 531.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
1-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140587086
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;4-[3-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 160785315
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
1-[3-[4-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzene-6-id-1-yl]isoquinoline;iridium
CID 140786432

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine (CID 164974564) is 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine is c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccncc5)cc4)nc(-c4cc(-c5ccncc5)cc(-c5ccncc5)c4)n3)cc2)ccn1.c1cc(-c2ccncc2)cc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)n2)c1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-c5nccc6ccccc56)cc(-c5nccc6ccccc56)c4)n3)c2)cc1.
What is the InChIKey of 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is DOYYSPAZUMZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C42H28N6.C41H27N7/c1-3-13-34(14-4-1)38-19-11-21-40(29-38)49-54-50(41-22-12-20-39(30-41)35-15-5-2-6-16-35)56-51(55-49)44-32-42(47-45-23-9-7-17-36(45)25-27-52-47)31-43(33-44)48-46-24-10-8-18-37(46)26-28-53-48;1-5-35(6-2-29(1)31-9-17-43-18-10-31)40-28-41(36-7-3-30(4-8-36)32-11-19-44-20-12-32)48-42(47-40)39-26-37(33-13-21-45-22-14-33)25-38(27-39)34-15-23-46-24-16-34;1-3-32(28-7-15-42-16-8-28)23-34(5-1)39-46-40(35-6-2-4-33(24-35)29-9-17-43-18-10-29)48-41(47-39)38-26-36(30-11-19-44-20-12-30)25-37(27-38)31-13-21-45-22-14-31/h1-33H;1-28H;1-27H.
What are the key properties of 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine?
1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 1950.30 g/mol, XLogP of 31.48, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(4-pyridin-4-ylphenyl)pyrimidine;2-(3,5-dipyridin-4-ylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164974564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).