4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile

C236H143N23 — CID 159562864

About 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile

4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile (PubChem CID 159562864) has the molecular formula C236H143N23 and a molecular weight of 3300.90 g/mol. Its IUPAC name is 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile
• PubChem CID: 159562864
• Molecular Formula: C236H143N23
• Molecular Weight: 3300.90 g/mol
• Exact Mass: 3298.19
• IUPAC Name: 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C83H50N8.C77H46N8.C76H47N7/c1-85-61-44-40-55(41-45-61)59-43-47-79-69(49-59)68-48-58(54-38-36-53(52-84)37-39-54)42-46-78(68)91(79)80-70(66-28-12-18-34-76(66)89-72-30-14-8-24-62(72)63-25-9-15-31-73(63)89)50-60(83-87-81(56-20-4-2-5-21-56)86-82(88-83)57-22-6-3-7-23-57)51-71(80)67-29-13-19-35-77(67)90-74-32-16-10-26-64(74)65-27-11-17-33-75(65)90;1-79-65-44-49(48-78)40-42-54(65)52-41-43-73-62(45-52)59-30-12-21-39-72(59)85(73)74-63(60-31-13-19-37-70(60)83-66-33-15-8-26-55(66)56-27-9-16-34-67(56)83)46-53(77-81-75(50-22-4-2-5-23-50)80-76(82-77)51-24-6-3-7-25-51)47-64(74)61-32-14-20-38-71(61)84-68-35-17-10-28-57(68)58-29-11-18-36-69(58)84;77-48-49-39-41-50(42-40-49)53-43-44-72-62(45-53)59-29-11-20-38-71(59)83(72)73-63(60-30-12-18-36-69(60)81-65-32-14-7-25-55(65)56-26-8-15-33-66(56)81)46-54(76-79-74(51-21-3-1-4-22-51)78-75(80-76)52-23-5-2-6-24-52)47-64(73)61-31-13-19-37-70(61)82-67-34-16-9-27-57(67)58-28-10-17-35-68(58)82/h2-51H;2-47H;1-47H
• InChIKey: MGVLGZPODPRZKB-UHFFFAOYSA-N
• XLogP: 59.88
• TPSA: 240.47 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3300.90
LogP ≤ 5	59.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile?

The IUPAC name of 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile (CID 159562864) is 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile.

What is the SMILES notation for 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile?

The canonical SMILES for 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cc(C#N)ccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccccc2-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2c(-c3ccccc3-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile?

The InChIKey is MGVLGZPODPRZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H50N8.C77H46N8.C76H47N7/c1-85-61-44-40-55(41-45-61)59-43-47-79-69(49-59)68-48-58(54-38-36-53(52-84)37-39-54)42-46-78(68)91(79)80-70(66-28-12-18-34-76(66)89-72-30-14-8-24-62(72)63-25-9-15-31-73(63)89)50-60(83-87-81(56-20-4-2-5-21-56)86-82(88-83)57-22-6-3-7-23-57)51-71(80)67-29-13-19-35-77(67)90-74-32-16-10-26-64(74)65-27-11-17-33-75(65)90;1-79-65-44-49(48-78)40-42-54(65)52-41-43-73-62(45-52)59-30-12-21-39-72(59)85(73)74-63(60-31-13-19-37-70(60)83-66-33-15-8-26-55(66)56-27-9-16-34-67(56)83)46-53(77-81-75(50-22-4-2-5-23-50)80-76(82-77)51-24-6-3-7-25-51)47-64(74)61-32-14-20-38-71(61)84-68-35-17-10-28-57(68)58-29-11-18-36-69(58)84;77-48-49-39-41-50(42-40-49)53-43-44-72-62(45-53)59-29-11-20-38-71(59)83(72)73-63(60-30-12-18-36-69(60)81-65-32-14-7-25-55(65)56-26-8-15-33-66(56)81)46-54(76-79-74(51-21-3-1-4-22-51)78-75(80-76)52-23-5-2-6-24-52)47-64(73)61-31-13-19-37-70(61)82-67-34-16-9-27-57(67)58-28-10-17-35-68(58)82/h2-51H;2-47H;1-47H.

What are the key properties of 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile?

4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile has a molecular weight of 3300.90 g/mol, XLogP of 59.88, 28 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile is sourced from PubChem (CID 159562864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).