9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole

C93H58N8 — CID 88878720

About 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole

9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole (PubChem CID 88878720) has the molecular formula C93H58N8 and a molecular weight of 1287.54 g/mol. Its IUPAC name is 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
• PubChem CID: 88878720
• Molecular Formula: C93H58N8
• Molecular Weight: 1287.54 g/mol
• Exact Mass: 1286.48
• IUPAC Name: 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccc(-c%11ccccc%11)cc%109)cc8)cc7n(-c7ccc(-c8nc(-n9c%10ccccc%10c%10ccccc%109)nc(-n9c%10ccccc%10c%10ccccc%109)n8)cc7)c6c5)cc4)c3c2)cc1
• InChI: InChI=1S/C93H58N8/c1-3-19-59(20-4-1)64-41-51-77-75-27-7-13-29-81(75)97(87(77)55-64)68-45-35-61(36-46-68)66-43-53-79-80-54-44-67(62-37-47-69(48-38-62)98-82-30-14-8-28-76(82)78-52-42-65(56-88(78)98)60-21-5-2-6-22-60)58-90(80)99(89(79)57-66)70-49-39-63(40-50-70)91-94-92(100-83-31-15-9-23-71(83)72-24-10-16-32-84(72)100)96-93(95-91)101-85-33-17-11-25-73(85)74-26-12-18-34-86(74)101/h1-58H
• InChIKey: OBNWGCVLQUVALY-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 63.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.54
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?

The IUPAC name of 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole (CID 88878720) is 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole.

What is the SMILES notation for 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?

The canonical SMILES for 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c7ccc(-c8ccc(-n9c%10ccccc%10c%10ccc(-c%11ccccc%11)cc%109)cc8)cc7n(-c7ccc(-c8nc(-n9c%10ccccc%10c%10ccccc%109)nc(-n9c%10ccccc%10c%10ccccc%109)n8)cc7)c6c5)cc4)c3c2)cc1.

What is the InChIKey of 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?

The InChIKey is OBNWGCVLQUVALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H58N8/c1-3-19-59(20-4-1)64-41-51-77-75-27-7-13-29-81(75)97(87(77)55-64)68-45-35-61(36-46-68)66-43-53-79-80-54-44-67(62-37-47-69(48-38-62)98-82-30-14-8-28-76(82)78-52-42-65(56-88(78)98)60-21-5-2-6-22-60)58-90(80)99(89(79)57-66)70-49-39-63(40-50-70)91-94-92(100-83-31-15-9-23-71(83)72-24-10-16-32-84(72)100)96-93(95-91)101-85-33-17-11-25-73(85)74-26-12-18-34-86(74)101/h1-58H.

What are the key properties of 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole?

9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole has a molecular weight of 1287.54 g/mol, XLogP of 23.69, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 88878720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).