2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile

C101H62N8 — CID 169059832

About 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile

2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile (PubChem CID 169059832) has the molecular formula C101H62N8 and a molecular weight of 1387.66 g/mol. Its IUPAC name is 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile
• PubChem CID: 169059832
• Molecular Formula: C101H62N8
• Molecular Weight: 1387.66 g/mol
• Exact Mass: 1386.51
• IUPAC Name: 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile
• SMILES: N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C#N)n1
• InChI: InChI=1S/C101H62N8/c102-63-78-39-46-79(107-93-49-40-72(65-23-8-1-9-24-65)55-84(93)85-56-73(41-50-94(85)107)66-25-10-2-11-26-66)61-83(78)100-104-99(71-35-20-7-21-36-71)105-101(106-100)90-62-80(108-95-51-42-74(67-27-12-3-13-28-67)57-86(95)87-58-75(43-52-96(87)108)68-29-14-4-15-30-68)47-48-82(90)81-37-22-38-92(91(81)64-103)109-97-53-44-76(69-31-16-5-17-32-69)59-88(97)89-60-77(45-54-98(89)109)70-33-18-6-19-34-70/h1-62H
• InChIKey: WCTWVMFMZKOJIJ-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 101.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1387.66
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile?

The IUPAC name of 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile (CID 169059832) is 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile.

What is the SMILES notation for 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile?

The canonical SMILES for 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C#N)n1.

What is the InChIKey of 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile?

The InChIKey is WCTWVMFMZKOJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H62N8/c102-63-78-39-46-79(107-93-49-40-72(65-23-8-1-9-24-65)55-84(93)85-56-73(41-50-94(85)107)66-25-10-2-11-26-66)61-83(78)100-104-99(71-35-20-7-21-36-71)105-101(106-100)90-62-80(108-95-51-42-74(67-27-12-3-13-28-67)57-86(95)87-58-75(43-52-96(87)108)68-29-14-4-15-30-68)47-48-82(90)81-37-22-38-92(91(81)64-103)109-97-53-44-76(69-31-16-5-17-32-69)59-88(97)89-60-77(45-54-98(89)109)70-33-18-6-19-34-70/h1-62H.

What are the key properties of 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile?

2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile has a molecular weight of 1387.66 g/mol, XLogP of 25.58, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[2-cyano-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-6-(3,6-diphenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 169059832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).