1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C64H41N5 — CID 177145568

About 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 177145568) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 177145568
• Molecular Formula: C64H41N5
• Molecular Weight: 880.07 g/mol
• Exact Mass: 879.34
• IUPAC Name: 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1
• InChI: InChI=1S/C64H41N5/c1-4-21-42(22-5-1)47-33-20-40-58-59(47)53-32-13-17-39-57(53)68(58)62-65-61(66-63(67-62)69-56-38-16-12-31-51(56)52-35-19-34-48(60(52)69)43-23-6-2-7-24-43)44-25-18-28-46(41-44)64(45-26-8-3-9-27-45)54-36-14-10-29-49(54)50-30-11-15-37-55(50)64/h1-41H
• InChIKey: VUOSXBJZRLBBGZ-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.07
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 177145568) is 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

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

The canonical SMILES for 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)nc(-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1.

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

The InChIKey is VUOSXBJZRLBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c1-4-21-42(22-5-1)47-33-20-40-58-59(47)53-32-13-17-39-57(53)68(58)62-65-61(66-63(67-62)69-56-38-16-12-31-51(56)52-35-19-34-48(60(52)69)43-23-6-2-7-24-43)44-25-18-28-46(41-44)64(45-26-8-3-9-27-45)54-36-14-10-29-49(54)50-30-11-15-37-55(50)64/h1-41H.

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

1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 880.07 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-9-[4-(4-phenylcarbazol-9-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).