7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine

C61H62N2 — CID 165059639

About 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine

7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine (PubChem CID 165059639) has the molecular formula C61H62N2 and a molecular weight of 823.18 g/mol. Its IUPAC name is 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

• Compound Name: 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
• PubChem CID: 165059639
• Molecular Formula: C61H62N2
• Molecular Weight: 823.18 g/mol
• Exact Mass: 822.49
• IUPAC Name: 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
• SMILES: CC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc4c5ccc(C6CCCCC6)cc5n(-c5ccccc5)c4c3)c3c(C4CCCCC4)ccc4ccccc34)cc21
• InChI: InChI=1S/C61H62N2/c1-61(2)56-37-45(41-17-7-3-8-18-41)28-33-52(56)53-35-30-48(39-57(53)61)62(60-50-26-16-15-23-44(50)27-32-51(60)43-21-11-5-12-22-43)49-31-36-55-54-34-29-46(42-19-9-4-10-20-42)38-58(54)63(59(55)40-49)47-24-13-6-14-25-47/h6,13-16,23-43H,3-5,7-12,17-22H2,1-2H3
• InChIKey: XPKIVIQKMCSWRA-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.18
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine?

The IUPAC name of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine (CID 165059639) is 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine.

What is the SMILES notation for 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine?

The canonical SMILES for 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine is CC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc4c5ccc(C6CCCCC6)cc5n(-c5ccccc5)c4c3)c3c(C4CCCCC4)ccc4ccccc34)cc21.

What is the InChIKey of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine?

The InChIKey is XPKIVIQKMCSWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H62N2/c1-61(2)56-37-45(41-17-7-3-8-18-41)28-33-52(56)53-35-30-48(39-57(53)61)62(60-50-26-16-15-23-44(50)27-32-51(60)43-21-11-5-12-22-43)49-31-36-55-54-34-29-46(42-19-9-4-10-20-42)38-58(54)63(59(55)40-49)47-24-13-6-14-25-47/h6,13-16,23-43H,3-5,7-12,17-22H2,1-2H3.

What are the key properties of 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine?

7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine has a molecular weight of 823.18 g/mol, XLogP of 17.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(2-cyclohexylnaphthalen-1-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 165059639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).