4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline

C60H43N5 — CID 118550539

About 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline

4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline (PubChem CID 118550539) has the molecular formula C60H43N5 and a molecular weight of 834.04 g/mol. Its IUPAC name is 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline
• PubChem CID: 118550539
• Molecular Formula: C60H43N5
• Molecular Weight: 834.04 g/mol
• Exact Mass: 833.35
• IUPAC Name: 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c65)cc4)n3)cc21
• InChI: InChI=1S/C60H43N5/c1-60(2)53-27-14-12-23-49(53)50-38-33-43(39-54(50)60)59-62-57(41-17-6-3-7-18-41)61-58(63-59)42-31-36-47(37-32-42)65-55-28-15-13-24-51(55)52-26-16-25-48(56(52)65)40-29-34-46(35-30-40)64(44-19-8-4-9-20-44)45-21-10-5-11-22-45/h3-39H,1-2H3
• InChIKey: DUYRGDMXXCWWSJ-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.04
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline (CID 118550539) is 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline.

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

The canonical SMILES for 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6cccc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c65)cc4)n3)cc21.

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

The InChIKey is DUYRGDMXXCWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N5/c1-60(2)53-27-14-12-23-49(53)50-38-33-43(39-54(50)60)59-62-57(41-17-6-3-7-18-41)61-58(63-59)42-31-36-47(37-32-42)65-55-28-15-13-24-51(55)52-26-16-25-48(56(52)65)40-29-34-46(35-30-40)64(44-19-8-4-9-20-44)45-21-10-5-11-22-45/h3-39H,1-2H3.

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

4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline has a molecular weight of 834.04 g/mol, XLogP of 15.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 118550539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).