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

C60H41N5 — CID 137402190

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

2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 137402190) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
• PubChem CID: 137402190
• Molecular Formula: C60H41N5
• Molecular Weight: 832.02 g/mol
• Exact Mass: 831.34
• IUPAC Name: 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cc21
• InChI: InChI=1S/C60H41N5/c1-60(2)51-25-12-9-22-45(51)46-31-28-41(36-52(46)60)58-61-57(62-59(63-58)42-29-32-49-47-23-10-13-26-53(47)64(56(49)37-42)43-19-7-4-8-20-43)40-18-15-21-44(34-40)65-54-27-14-11-24-48(54)50-35-39(30-33-55(50)65)38-16-5-3-6-17-38/h3-37H,1-2H3
• InChIKey: DPJIMELPRWJKGI-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.02
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 137402190) is 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cc21.

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

The InChIKey is DPJIMELPRWJKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)51-25-12-9-22-45(51)46-31-28-41(36-52(46)60)58-61-57(62-59(63-58)42-29-32-49-47-23-10-13-26-53(47)64(56(49)37-42)43-19-7-4-8-20-43)40-18-15-21-44(34-40)65-54-27-14-11-24-48(54)50-35-39(30-33-55(50)65)38-16-5-3-6-17-38/h3-37H,1-2H3.

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

2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 832.02 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137402190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).