N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine

C59H48N2 — CID 164774305

About N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine

N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine (PubChem CID 164774305) has the molecular formula C59H48N2 and a molecular weight of 785.05 g/mol. Its IUPAC name is N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
• PubChem CID: 164774305
• Molecular Formula: C59H48N2
• Molecular Weight: 785.05 g/mol
• Exact Mass: 784.38
• IUPAC Name: N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4cc(C5CCCCC5)ccc4c3)c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4ccccc34)cc21
• InChI: InChI=1S/C59H48N2/c1-59(2)54-23-13-11-21-50(54)51-34-31-47(38-55(51)59)60(46-30-27-42-35-41(25-26-43(42)36-46)39-15-5-3-6-16-39)58-48-20-10-9-17-40(48)28-32-49(58)44-29-33-53-52-22-12-14-24-56(52)61(57(53)37-44)45-18-7-4-8-19-45/h4,7-14,17-39H,3,5-6,15-16H2,1-2H3
• InChIKey: WQIZUFGMIFLNDB-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.05
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

The IUPAC name of N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine (CID 164774305) is N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine.

What is the SMILES notation for N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

The canonical SMILES for N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4cc(C5CCCCC5)ccc4c3)c3c(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4ccccc34)cc21.

What is the InChIKey of N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

The InChIKey is WQIZUFGMIFLNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N2/c1-59(2)54-23-13-11-21-50(54)51-34-31-47(38-55(51)59)60(46-30-27-42-35-41(25-26-43(42)36-46)39-15-5-3-6-16-39)58-48-20-10-9-17-40(48)28-32-49(58)44-29-33-53-52-22-12-14-24-56(52)61(57(53)37-44)45-18-7-4-8-19-45/h4,7-14,17-39H,3,5-6,15-16H2,1-2H3.

What are the key properties of N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine?

N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine has a molecular weight of 785.05 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-2-yl)naphthalen-1-yl]fluoren-2-amine is sourced from PubChem (CID 164774305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).