2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile

C177H114N12 — CID 163615436

IUPAC2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-c1ccccc1
InChIInChI=1S/3C59H38N4/c60-39-52-56(44-27-15-5-16-28-44)61-59(62-57(52)45-29-17-6-18-30-45)49-34-33-48(42-23-11-3-12-24-42)55(43-25-13-4-14-26-43)58(49)63-53-35-31-46(40-19-7-1-8-20-40)37-50(53)51-38-47(32-36-54(51)63)41-21-9-2-10-22-41;60-39-53-57(44-27-15-5-16-28-44)61-59(62-58(53)45-29-17-6-18-30-45)52-37-48(42-23-11-3-12-24-42)49(43-25-13-4-14-26-43)38-56(52)63-54-33-31-46(40-19-7-1-8-20-40)35-50(54)51-36-47(32-34-55(51)63)41-21-9-2-10-22-41;60-39-52-57(44-27-15-5-16-28-44)61-59(62-58(52)45-29-17-6-18-30-45)48-37-49(42-23-11-3-12-24-42)56(43-25-13-4-14-26-43)55(38-48)63-53-33-31-46(40-19-7-1-8-20-40)35-50(53)51-36-47(32-34-54(51)63)41-21-9-2-10-22-41/h3*1-38H
InChIKeyHJOLPFIZXBUJQK-UHFFFAOYSA-N
MW2408.94 g/mol
LogP45.34
Rot. Bonds24

About 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile

2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 163615436) has the molecular formula C177H114N12 and a molecular weight of 2408.94 g/mol. Its IUPAC name is 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID163615436
Molecular FormulaC177H114N12
Molecular Weight2408.94 g/mol
Exact Mass2406.93
IUPAC Name2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-c1ccccc1
InChIInChI=1S/3C59H38N4/c60-39-52-56(44-27-15-5-16-28-44)61-59(62-57(52)45-29-17-6-18-30-45)49-34-33-48(42-23-11-3-12-24-42)55(43-25-13-4-14-26-43)58(49)63-53-35-31-46(40-19-7-1-8-20-40)37-50(53)51-38-47(32-36-54(51)63)41-21-9-2-10-22-41;60-39-53-57(44-27-15-5-16-28-44)61-59(62-58(53)45-29-17-6-18-30-45)52-37-48(42-23-11-3-12-24-42)49(43-25-13-4-14-26-43)38-56(52)63-54-33-31-46(40-19-7-1-8-20-40)35-50(54)51-36-47(32-34-55(51)63)41-21-9-2-10-22-41;60-39-52-57(44-27-15-5-16-28-44)61-59(62-58(52)45-29-17-6-18-30-45)48-37-49(42-23-11-3-12-24-42)56(43-25-13-4-14-26-43)55(38-48)63-53-33-31-46(40-19-7-1-8-20-40)35-50(53)51-36-47(32-34-54(51)63)41-21-9-2-10-22-41/h3*1-38H
InChIKeyHJOLPFIZXBUJQK-UHFFFAOYSA-N
XLogP45.34
TPSA163.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002408.94
LogP ≤ 545.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-[3-(3-carbazol-9-ylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163625687
2-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163995316
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
2-(4-carbazol-9-yl-3-phenylphenyl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163540972
4-[3-[4,6-bis[4-(4-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163984936
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
4-[4-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496057
4-[4-[5-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170664857
2,5-bis(3,6-diphenylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139420018
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 155588470
2,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile (CID 163615436) is 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2cc(-c3ccccc3)c(-c3ccccc3)cc2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-c1ccccc1.N#Cc1c(-c2ccccc2)nc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-c1ccccc1.
What is the InChIKey of 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is HJOLPFIZXBUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H38N4/c60-39-52-56(44-27-15-5-16-28-44)61-59(62-57(52)45-29-17-6-18-30-45)49-34-33-48(42-23-11-3-12-24-42)55(43-25-13-4-14-26-43)58(49)63-53-35-31-46(40-19-7-1-8-20-40)37-50(53)51-38-47(32-36-54(51)63)41-21-9-2-10-22-41;60-39-53-57(44-27-15-5-16-28-44)61-59(62-58(53)45-29-17-6-18-30-45)52-37-48(42-23-11-3-12-24-42)49(43-25-13-4-14-26-43)38-56(52)63-54-33-31-46(40-19-7-1-8-20-40)35-50(54)51-36-47(32-34-55(51)63)41-21-9-2-10-22-41;60-39-52-57(44-27-15-5-16-28-44)61-59(62-58(52)45-29-17-6-18-30-45)48-37-49(42-23-11-3-12-24-42)56(43-25-13-4-14-26-43)55(38-48)63-53-33-31-46(40-19-7-1-8-20-40)35-50(53)51-36-47(32-34-54(51)63)41-21-9-2-10-22-41/h3*1-38H.
What are the key properties of 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile?
2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 2408.94 g/mol, XLogP of 45.34, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-diphenylcarbazol-9-yl)-3,4-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[2-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile;2-[3-(3,6-diphenylcarbazol-9-yl)-4,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 163615436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).