11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine

C61H44N4 — CID 135169249

About 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine

11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine (PubChem CID 135169249) has the molecular formula C61H44N4 and a molecular weight of 833.05 g/mol. Its IUPAC name is 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine.

Molecular Properties

• Compound Name: 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
• PubChem CID: 135169249
• Molecular Formula: C61H44N4
• Molecular Weight: 833.05 g/mol
• Exact Mass: 832.36
• IUPAC Name: 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Nc5cccc(-c6ccc(-n7c8ccc(Nc9ccccc9)cc8c8ccc9ccccc9c87)cc6)c5)ccc43)cc21
• InChI: InChI=1S/C61H44N4/c1-61(2)55-21-10-8-19-49(55)50-32-30-47(38-56(50)61)64-57-22-11-9-20-51(57)53-36-45(26-33-58(53)64)63-43-17-12-14-41(35-43)39-23-28-46(29-24-39)65-59-34-27-44(62-42-15-4-3-5-16-42)37-54(59)52-31-25-40-13-6-7-18-48(40)60(52)65/h3-38,62-63H,1-2H3
• InChIKey: ODXNLTHBCAOURB-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 33.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.05
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine?

The IUPAC name of 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine (CID 135169249) is 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine.

What is the SMILES notation for 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine?

The canonical SMILES for 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(Nc5cccc(-c6ccc(-n7c8ccc(Nc9ccccc9)cc8c8ccc9ccccc9c87)cc6)c5)ccc43)cc21.

What is the InChIKey of 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine?

The InChIKey is ODXNLTHBCAOURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4/c1-61(2)55-21-10-8-19-49(55)50-32-30-47(38-56(50)61)64-57-22-11-9-20-51(57)53-36-45(26-33-58(53)64)63-43-17-12-14-41(35-43)39-23-28-46(29-24-39)65-59-34-27-44(62-42-15-4-3-5-16-42)37-54(59)52-31-25-40-13-6-7-18-48(40)60(52)65/h3-38,62-63H,1-2H3.

What are the key properties of 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine?

11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine has a molecular weight of 833.05 g/mol, XLogP of 16.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[3-[[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]amino]phenyl]phenyl]-N-phenylbenzo[a]carbazol-8-amine is sourced from PubChem (CID 135169249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).