6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline

C265H172N30 — CID 163467954

IUPAC6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline
SMILESN#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8cnccc8c7)n6)c5)cc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-c7ccc8cnccc8c7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C58H38N6.C55H36N6.C52H34N6.2C50H32N6/c1-5-14-39(15-6-1)50-34-51(40-16-7-2-8-17-40)36-52(35-50)54-37-53(60-55(61-54)43-18-9-3-10-19-43)42-26-24-41(25-27-42)45-22-13-23-47(32-45)57-62-56(44-20-11-4-12-21-44)63-58(64-57)48-28-29-49-38-59-31-30-46(49)33-48;1-4-15-37(16-5-1)38-29-33-43(34-30-38)54-58-53(42-19-8-3-9-20-42)59-55(60-54)45-22-14-21-44(35-45)39-27-31-40(32-28-39)48-36-51(57-52(56-48)41-17-6-2-7-18-41)61-49-25-12-10-23-46(49)47-24-11-13-26-50(47)61;1-4-11-35(12-5-1)36-21-25-41(26-22-36)51-56-50(40-15-8-3-9-16-40)57-52(58-51)45-18-10-17-42(32-45)37-19-23-38(24-20-37)47-33-48(55-49(54-47)39-13-6-2-7-14-39)44-27-28-46-34-53-30-29-43(46)31-44;51-33-34-22-24-37(25-23-34)45-32-46(53-49(52-45)43-20-10-18-41(30-43)35-12-4-1-5-13-35)38-28-26-36(27-29-38)42-19-11-21-44(31-42)50-55-47(39-14-6-2-7-15-39)54-48(56-50)40-16-8-3-9-17-40;51-33-34-19-21-38(22-20-34)45-32-46(53-47(52-45)42-29-25-36(26-30-42)35-11-4-1-5-12-35)39-27-23-37(24-28-39)43-17-10-18-44(31-43)50-55-48(40-13-6-2-7-14-40)54-49(56-50)41-15-8-3-9-16-41/h1-38H;1-36H;1-34H;2*1-32H
InChIKeyBUEYMPJIKWDTTM-UHFFFAOYSA-N
MW3776.50 g/mol
LogP63.92
Rot. Bonds41

About 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline

6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline (PubChem CID 163467954) has the molecular formula C265H172N30 and a molecular weight of 3776.50 g/mol. Its IUPAC name is 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline.

Molecular Properties

Compound Name6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline
PubChem CID163467954
Molecular FormulaC265H172N30
Molecular Weight3776.50 g/mol
Exact Mass3773.44
IUPAC Name6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline
SMILESN#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8cnccc8c7)n6)c5)cc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-c7ccc8cnccc8c7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C58H38N6.C55H36N6.C52H34N6.2C50H32N6/c1-5-14-39(15-6-1)50-34-51(40-16-7-2-8-17-40)36-52(35-50)54-37-53(60-55(61-54)43-18-9-3-10-19-43)42-26-24-41(25-27-42)45-22-13-23-47(32-45)57-62-56(44-20-11-4-12-21-44)63-58(64-57)48-28-29-49-38-59-31-30-46(49)33-48;1-4-15-37(16-5-1)38-29-33-43(34-30-38)54-58-53(42-19-8-3-9-20-42)59-55(60-54)45-22-14-21-44(35-45)39-27-31-40(32-28-39)48-36-51(57-52(56-48)41-17-6-2-7-18-41)61-49-25-12-10-23-46(49)47-24-11-13-26-50(47)61;1-4-11-35(12-5-1)36-21-25-41(26-22-36)51-56-50(40-15-8-3-9-16-40)57-52(58-51)45-18-10-17-42(32-45)37-19-23-38(24-20-37)47-33-48(55-49(54-47)39-13-6-2-7-14-39)44-27-28-46-34-53-30-29-43(46)31-44;51-33-34-22-24-37(25-23-34)45-32-46(53-49(52-45)43-20-10-18-41(30-43)35-12-4-1-5-13-35)38-28-26-36(27-29-38)42-19-11-21-44(31-42)50-55-47(39-14-6-2-7-15-39)54-48(56-50)40-16-8-3-9-17-40;51-33-34-19-21-38(22-20-34)45-32-46(53-47(52-45)42-29-25-36(26-30-42)35-11-4-1-5-12-35)39-27-23-37(24-28-39)43-17-10-18-44(31-43)50-55-48(40-13-6-2-7-14-40)54-49(56-50)41-15-8-3-9-16-41/h1-38H;1-36H;1-34H;2*1-32H
InChIKeyBUEYMPJIKWDTTM-UHFFFAOYSA-N
XLogP63.92
TPSA400.54 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms295
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003776.50
LogP ≤ 563.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline with MolForge

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Related Compounds

9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
4-[3-[2,6-di(carbazol-9-yl)-4-pyridinyl]phenyl]benzonitrile
CID 121312512
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]pyrido[3,4-b]indole;9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159798097
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 160561828
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
7-[3-isoquinolin-6-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171422091
2,4-bis(4-phenylphenyl)-6-[3-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;4-[6-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;9-phenyl-2-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;4-[4-phenyl-6-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 163421741
4-[2-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[2-[3-[9-[4-[3-[4-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile;4-[4-[3-[9-[3-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159923902
4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;9-[4-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazole;2-[4-[3-[6-(4-isocyanophenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163515421
4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile
CID 70827248

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline?
The IUPAC name of 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline (CID 163467954) is 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline.
What is the SMILES notation for 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline?
The canonical SMILES for 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline is N#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8cnccc8c7)n6)c5)cc4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-c7ccc8cnccc8c7)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-c7ccccc7)n6)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline?
The InChIKey is BUEYMPJIKWDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N6.C55H36N6.C52H34N6.2C50H32N6/c1-5-14-39(15-6-1)50-34-51(40-16-7-2-8-17-40)36-52(35-50)54-37-53(60-55(61-54)43-18-9-3-10-19-43)42-26-24-41(25-27-42)45-22-13-23-47(32-45)57-62-56(44-20-11-4-12-21-44)63-58(64-57)48-28-29-49-38-59-31-30-46(49)33-48;1-4-15-37(16-5-1)38-29-33-43(34-30-38)54-58-53(42-19-8-3-9-20-42)59-55(60-54)45-22-14-21-44(35-45)39-27-31-40(32-28-39)48-36-51(57-52(56-48)41-17-6-2-7-18-41)61-49-25-12-10-23-46(49)47-24-11-13-26-50(47)61;1-4-11-35(12-5-1)36-21-25-41(26-22-36)51-56-50(40-15-8-3-9-16-40)57-52(58-51)45-18-10-17-42(32-45)37-19-23-38(24-20-37)47-33-48(55-49(54-47)39-13-6-2-7-14-39)44-27-28-46-34-53-30-29-43(46)31-44;51-33-34-22-24-37(25-23-34)45-32-46(53-49(52-45)43-20-10-18-41(30-43)35-12-4-1-5-13-35)38-28-26-36(27-29-38)42-19-11-21-44(31-42)50-55-47(39-14-6-2-7-15-39)54-48(56-50)40-16-8-3-9-17-40;51-33-34-19-21-38(22-20-34)45-32-46(53-47(52-45)42-29-25-36(26-30-42)35-11-4-1-5-12-35)39-27-23-37(24-28-39)43-17-10-18-44(31-43)50-55-48(40-13-6-2-7-14-40)54-49(56-50)41-15-8-3-9-16-41/h1-38H;1-36H;1-34H;2*1-32H.
What are the key properties of 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline?
6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline has a molecular weight of 3776.50 g/mol, XLogP of 63.92, 41 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]benzonitrile;4-[6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)pyrimidin-4-yl]benzonitrile;9-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]carbazole;6-[2-phenyl-6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrimidin-4-yl]isoquinoline is sourced from PubChem (CID 163467954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).