4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile

C326H208N42 — CID 162069097

IUPAC4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc2)n1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc2)n1
InChIInChI=1S/3C50H32N6.C45H29N5.2C44H28N6.C43H27N7/c1-51-44-23-12-11-22-43(44)50-55-47(39-18-9-4-10-19-39)54-48(56-50)40-30-26-36(27-31-40)35-24-28-38(29-25-35)46-33-45(37-16-7-3-8-17-37)52-49(53-46)42-21-13-20-41(32-42)34-14-5-2-6-15-34;1-51-44-23-12-11-22-43(44)50-55-48(38-18-9-4-10-19-38)54-49(56-50)40-30-26-36(27-31-40)35-24-28-39(29-25-35)47-52-45(37-16-7-3-8-17-37)33-46(53-47)42-21-13-20-41(32-42)34-14-5-2-6-15-34;51-33-34-19-21-40(22-20-34)49-54-48(39-15-8-3-9-16-39)55-50(56-49)42-29-25-37(26-30-42)36-23-27-41(28-24-36)47-52-45(38-13-6-2-7-14-38)32-46(53-47)44-18-10-17-43(31-44)35-11-4-1-5-12-35;46-30-31-19-21-37(22-20-31)44-48-43(36-15-8-3-9-16-36)49-45(50-44)39-18-10-17-38(27-39)33-23-25-35(26-24-33)42-29-40(32-11-4-1-5-12-32)28-41(47-42)34-13-6-2-7-14-34;45-29-30-19-21-33(22-20-30)40-28-39(32-11-4-1-5-12-32)46-44(47-40)38-18-10-17-37(27-38)31-23-25-36(26-24-31)43-49-41(34-13-6-2-7-14-34)48-42(50-43)35-15-8-3-9-16-35;45-29-30-19-21-35(22-20-30)43-48-42(34-15-8-3-9-16-34)49-44(50-43)38-18-10-17-37(27-38)31-23-25-36(26-24-31)41-46-39(32-11-4-1-5-12-32)28-40(47-41)33-13-6-2-7-14-33;44-28-29-19-21-34(22-20-29)41-48-40(33-15-8-3-9-16-33)49-43(50-41)37-18-10-17-36(27-37)30-23-25-35(26-24-30)42-46-38(31-11-4-1-5-12-31)45-39(47-42)32-13-6-2-7-14-32/h2*2-33H;1-32H;1-29H;2*1-28H;1-27H
InChIKeyZAVLBTLUKJOQQJ-UHFFFAOYSA-N
MW4713.54 g/mol
LogP77.78
Rot. Bonds52

About 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile

4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 162069097) has the molecular formula C326H208N42 and a molecular weight of 4713.54 g/mol. Its IUPAC name is 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
PubChem CID162069097
Molecular FormulaC326H208N42
Molecular Weight4713.54 g/mol
Exact Mass4709.76
IUPAC Name4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc2)n1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc2)n1
InChIInChI=1S/3C50H32N6.C45H29N5.2C44H28N6.C43H27N7/c1-51-44-23-12-11-22-43(44)50-55-47(39-18-9-4-10-19-39)54-48(56-50)40-30-26-36(27-31-40)35-24-28-38(29-25-35)46-33-45(37-16-7-3-8-17-37)52-49(53-46)42-21-13-20-41(32-42)34-14-5-2-6-15-34;1-51-44-23-12-11-22-43(44)50-55-48(38-18-9-4-10-19-38)54-49(56-50)40-30-26-36(27-31-40)35-24-28-39(29-25-35)47-52-45(37-16-7-3-8-17-37)33-46(53-47)42-21-13-20-41(32-42)34-14-5-2-6-15-34;51-33-34-19-21-40(22-20-34)49-54-48(39-15-8-3-9-16-39)55-50(56-49)42-29-25-37(26-30-42)36-23-27-41(28-24-36)47-52-45(38-13-6-2-7-14-38)32-46(53-47)44-18-10-17-43(31-44)35-11-4-1-5-12-35;46-30-31-19-21-37(22-20-31)44-48-43(36-15-8-3-9-16-36)49-45(50-44)39-18-10-17-38(27-39)33-23-25-35(26-24-33)42-29-40(32-11-4-1-5-12-32)28-41(47-42)34-13-6-2-7-14-34;45-29-30-19-21-33(22-20-30)40-28-39(32-11-4-1-5-12-32)46-44(47-40)38-18-10-17-37(27-38)31-23-25-36(26-24-31)43-49-41(34-13-6-2-7-14-34)48-42(50-43)35-15-8-3-9-16-35;45-29-30-19-21-35(22-20-30)43-48-42(34-15-8-3-9-16-34)49-44(50-43)38-18-10-17-37(27-38)31-23-25-36(26-24-31)41-46-39(32-11-4-1-5-12-32)28-40(47-41)33-13-6-2-7-14-33;44-28-29-19-21-34(22-20-29)41-48-40(33-15-8-3-9-16-33)49-43(50-41)37-18-10-17-36(27-37)30-23-25-35(26-24-30)42-46-38(31-11-4-1-5-12-31)45-39(47-42)32-13-6-2-7-14-32/h2*2-33H;1-32H;1-29H;2*1-28H;1-27H
InChIKeyZAVLBTLUKJOQQJ-UHFFFAOYSA-N
XLogP77.78
TPSA578.82 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds52
Heavy Atoms368
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004713.54
LogP ≤ 577.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile (CID 162069097) is 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4)c3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)n2)cc1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc2)n1.[C-]#[N+]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)n4)cc3)cc2)n1.
What is the InChIKey of 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is ZAVLBTLUKJOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H32N6.C45H29N5.2C44H28N6.C43H27N7/c1-51-44-23-12-11-22-43(44)50-55-47(39-18-9-4-10-19-39)54-48(56-50)40-30-26-36(27-31-40)35-24-28-38(29-25-35)46-33-45(37-16-7-3-8-17-37)52-49(53-46)42-21-13-20-41(32-42)34-14-5-2-6-15-34;1-51-44-23-12-11-22-43(44)50-55-48(38-18-9-4-10-19-38)54-49(56-50)40-30-26-36(27-31-40)35-24-28-39(29-25-35)47-52-45(37-16-7-3-8-17-37)33-46(53-47)42-21-13-20-41(32-42)34-14-5-2-6-15-34;51-33-34-19-21-40(22-20-34)49-54-48(39-15-8-3-9-16-39)55-50(56-49)42-29-25-37(26-30-42)36-23-27-41(28-24-36)47-52-45(38-13-6-2-7-14-38)32-46(53-47)44-18-10-17-43(31-44)35-11-4-1-5-12-35;46-30-31-19-21-37(22-20-31)44-48-43(36-15-8-3-9-16-36)49-45(50-44)39-18-10-17-38(27-39)33-23-25-35(26-24-33)42-29-40(32-11-4-1-5-12-32)28-41(47-42)34-13-6-2-7-14-34;45-29-30-19-21-33(22-20-30)40-28-39(32-11-4-1-5-12-32)46-44(47-40)38-18-10-17-37(27-38)31-23-25-36(26-24-31)43-49-41(34-13-6-2-7-14-34)48-42(50-43)35-15-8-3-9-16-35;45-29-30-19-21-35(22-20-30)43-48-42(34-15-8-3-9-16-34)49-44(50-43)38-18-10-17-37(27-38)31-23-25-36(26-24-31)41-46-39(32-11-4-1-5-12-32)28-40(47-41)33-13-6-2-7-14-33;44-28-29-19-21-34(22-20-29)41-48-40(33-15-8-3-9-16-33)49-43(50-41)37-18-10-17-36(27-37)30-23-25-35(26-24-30)42-46-38(31-11-4-1-5-12-31)45-39(47-42)32-13-6-2-7-14-32/h2*2-33H;1-32H;1-29H;2*1-28H;1-27H.
What are the key properties of 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 4713.54 g/mol, XLogP of 77.78, 52 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazine;2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[4-phenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 162069097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).