1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole

C173H113N13 — CID 160899736

IUPAC1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6-c6cccc7c8ccccc8n(-c8ccccc8)c67)c45)c3)n2)cc1
InChIInChI=1S/2C58H38N4.C57H37N5/c1-4-17-40(18-5-1)51-38-52(41-19-6-2-7-20-41)60-58(59-51)43-22-14-21-42(37-43)46-27-16-32-55-56(46)50-26-11-13-31-54(50)61(55)45-35-33-39(34-36-45)47-28-15-29-49-48-25-10-12-30-53(48)62(57(47)49)44-23-8-3-9-24-44;1-4-15-41(16-5-1)51-38-52(42-17-6-2-7-18-42)60-58(59-51)43-29-27-40(28-30-43)47-23-14-26-56-57(47)49-22-11-13-25-54(49)62(56)46-34-31-39(32-35-46)44-33-36-55-50(37-44)48-21-10-12-24-53(48)61(55)45-19-8-3-9-20-45;1-4-19-38(20-5-1)55-58-56(39-21-6-2-7-22-39)60-57(59-55)41-24-16-23-40(37-41)43-30-17-31-47-45-28-11-14-35-51(45)62(53(43)47)52-36-15-12-29-46(52)49-33-18-32-48-44-27-10-13-34-50(44)61(54(48)49)42-25-8-3-9-26-42/h2*1-38H;1-37H
InChIKeySPIMZGHLMBQBIY-UHFFFAOYSA-N
MW2373.90 g/mol
LogP44.41
Rot. Bonds21

About 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole

1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole (PubChem CID 160899736) has the molecular formula C173H113N13 and a molecular weight of 2373.90 g/mol. Its IUPAC name is 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole
PubChem CID160899736
Molecular FormulaC173H113N13
Molecular Weight2373.90 g/mol
Exact Mass2371.92
IUPAC Name1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6-c6cccc7c8ccccc8n(-c8ccccc8)c67)c45)c3)n2)cc1
InChIInChI=1S/2C58H38N4.C57H37N5/c1-4-17-40(18-5-1)51-38-52(41-19-6-2-7-20-41)60-58(59-51)43-22-14-21-42(37-43)46-27-16-32-55-56(46)50-26-11-13-31-54(50)61(55)45-35-33-39(34-36-45)47-28-15-29-49-48-25-10-12-30-53(48)62(57(47)49)44-23-8-3-9-24-44;1-4-15-41(16-5-1)51-38-52(42-17-6-2-7-18-42)60-58(59-51)43-29-27-40(28-30-43)47-23-14-26-56-57(47)49-22-11-13-25-54(49)62(56)46-34-31-39(32-35-46)44-33-36-55-50(37-44)48-21-10-12-24-53(48)61(55)45-19-8-3-9-20-45;1-4-19-38(20-5-1)55-58-56(39-21-6-2-7-22-39)60-57(59-55)41-24-16-23-40(37-41)43-30-17-31-47-45-28-11-14-35-51(45)62(53(43)47)52-36-15-12-29-46(52)49-33-18-32-48-44-27-10-13-34-50(44)61(54(48)49)42-25-8-3-9-26-42/h2*1-38H;1-37H
InChIKeySPIMZGHLMBQBIY-UHFFFAOYSA-N
XLogP44.41
TPSA119.81 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002373.90
LogP ≤ 544.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole with MolForge

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Related Compounds

1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[4-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylcarbazole
CID 160854312
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928
1-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149319
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
3-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-(2-methylphenyl)carbazole
CID 121306297

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole?
The IUPAC name of 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole (CID 160899736) is 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole?
The canonical SMILES for 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6ccccc6n(-c6ccccc6-c6cccc7c8ccccc8n(-c8ccccc8)c67)c45)c3)n2)cc1.
What is the InChIKey of 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole?
The InChIKey is SPIMZGHLMBQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H38N4.C57H37N5/c1-4-17-40(18-5-1)51-38-52(41-19-6-2-7-20-41)60-58(59-51)43-22-14-21-42(37-43)46-27-16-32-55-56(46)50-26-11-13-31-54(50)61(55)45-35-33-39(34-36-45)47-28-15-29-49-48-25-10-12-30-53(48)62(57(47)49)44-23-8-3-9-24-44;1-4-15-41(16-5-1)51-38-52(42-17-6-2-7-18-42)60-58(59-51)43-29-27-40(28-30-43)47-23-14-26-56-57(47)49-22-11-13-25-54(49)62(56)46-34-31-39(32-35-46)44-33-36-55-50(37-44)48-21-10-12-24-53(48)61(55)45-19-8-3-9-20-45;1-4-19-38(20-5-1)55-58-56(39-21-6-2-7-22-39)60-57(59-55)41-24-16-23-40(37-41)43-30-17-31-47-45-28-11-14-35-51(45)62(53(43)47)52-36-15-12-29-46(52)49-33-18-32-48-44-27-10-13-34-50(44)61(54(48)49)42-25-8-3-9-26-42/h2*1-38H;1-37H.
What are the key properties of 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole?
1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole has a molecular weight of 2373.90 g/mol, XLogP of 44.41, 21 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 160899736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).