9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole

C175H120N18 — CID 158497325

IUPAC9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C63H44N6.2C56H38N6/c1-41-23-27-43(28-24-41)49-31-34-52-53-35-32-50(44-29-25-42(2)26-30-44)39-59(53)69(58(52)38-49)57-36-33-51(63-67-61(47-19-11-5-12-20-47)66-62(68-63)48-21-13-6-14-22-48)37-54(57)56-40-55(45-15-7-3-8-16-45)64-60(65-56)46-17-9-4-10-18-46;1-37-26-28-38(29-27-37)43-30-32-46-45-24-14-15-25-50(45)62(52(46)35-43)51-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)34-47(51)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40;1-37-26-28-38(29-27-37)43-30-32-51-46(34-43)45-24-14-15-25-50(45)62(51)52-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)35-47(52)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40/h3-40H,1-2H3;2*2-36H,1H3
InChIKeyHJLLKGWNCIGNBD-UHFFFAOYSA-N
MW2475.01 g/mol
LogP43.18
Rot. Bonds25

About 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole

9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole (PubChem CID 158497325) has the molecular formula C175H120N18 and a molecular weight of 2475.01 g/mol. Its IUPAC name is 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
PubChem CID158497325
Molecular FormulaC175H120N18
Molecular Weight2475.01 g/mol
Exact Mass2472.99
IUPAC Name9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C63H44N6.2C56H38N6/c1-41-23-27-43(28-24-41)49-31-34-52-53-35-32-50(44-29-25-42(2)26-30-44)39-59(53)69(58(52)38-49)57-36-33-51(63-67-61(47-19-11-5-12-20-47)66-62(68-63)48-21-13-6-14-22-48)37-54(57)56-40-55(45-15-7-3-8-16-45)64-60(65-56)46-17-9-4-10-18-46;1-37-26-28-38(29-27-37)43-30-32-46-45-24-14-15-25-50(45)62(52(46)35-43)51-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)34-47(51)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40;1-37-26-28-38(29-27-37)43-30-32-51-46(34-43)45-24-14-15-25-50(45)62(51)52-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)35-47(52)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40/h3-40H,1-2H3;2*2-36H,1H3
InChIKeyHJLLKGWNCIGNBD-UHFFFAOYSA-N
XLogP43.18
TPSA208.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002475.01
LogP ≤ 543.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole?
The IUPAC name of 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole (CID 158497325) is 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole?
The canonical SMILES for 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole?
The InChIKey is HJLLKGWNCIGNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N6.2C56H38N6/c1-41-23-27-43(28-24-41)49-31-34-52-53-35-32-50(44-29-25-42(2)26-30-44)39-59(53)69(58(52)38-49)57-36-33-51(63-67-61(47-19-11-5-12-20-47)66-62(68-63)48-21-13-6-14-22-48)37-54(57)56-40-55(45-15-7-3-8-16-45)64-60(65-56)46-17-9-4-10-18-46;1-37-26-28-38(29-27-37)43-30-32-46-45-24-14-15-25-50(45)62(52(46)35-43)51-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)34-47(51)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40;1-37-26-28-38(29-27-37)43-30-32-51-46(34-43)45-24-14-15-25-50(45)62(51)52-33-31-44(56-60-54(41-20-10-4-11-21-41)59-55(61-56)42-22-12-5-13-23-42)35-47(52)49-36-48(39-16-6-2-7-17-39)57-53(58-49)40-18-8-3-9-19-40/h3-40H,1-2H3;2*2-36H,1H3.
What are the key properties of 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole?
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole has a molecular weight of 2475.01 g/mol, XLogP of 43.18, 25 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole is sourced from PubChem (CID 158497325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).