9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine

C59H52N2 — CID 168722791

About 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine

9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine (PubChem CID 168722791) has the molecular formula C59H52N2 and a molecular weight of 789.08 g/mol. Its IUPAC name is 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
• PubChem CID: 168722791
• Molecular Formula: C59H52N2
• Molecular Weight: 789.08 g/mol
• Exact Mass: 788.41
• IUPAC Name: 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CCC6CC(C5)CC4C6)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc32)cc1
• InChI: InChI=1S/C59H52N2/c1-3-13-42(14-4-1)61-56-20-10-7-17-49(56)50-27-24-45(37-57(50)61)60(44-23-26-48-46-15-5-8-18-52(46)58(55(48)36-44)29-11-2-12-30-58)43-25-28-54-51(35-43)47-16-6-9-19-53(47)59(54)40-22-21-38-31-39(33-40)34-41(59)32-38/h1,3-10,13-20,23-28,35-41H,2,11-12,21-22,29-34H2
• InChIKey: YHKNVQRLLJJJIJ-UHFFFAOYSA-N
• XLogP: 15.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.08
LogP ≤ 5	15.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine?

The IUPAC name of 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine (CID 168722791) is 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine.

What is the SMILES notation for 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine?

The canonical SMILES for 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)-c4ccccc4C54C5CCC6CC(C5)CC4C6)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)cc32)cc1.

What is the InChIKey of 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine?

The InChIKey is YHKNVQRLLJJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H52N2/c1-3-13-42(14-4-1)61-56-20-10-7-17-49(56)50-27-24-45(37-57(50)61)60(44-23-26-48-46-15-5-8-18-52(46)58(55(48)36-44)29-11-2-12-30-58)43-25-28-54-51(35-43)47-16-6-9-19-53(47)59(54)40-22-21-38-31-39(33-40)34-41(59)32-38/h1,3-10,13-20,23-28,35-41H,2,11-12,21-22,29-34H2.

What are the key properties of 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine?

9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine has a molecular weight of 789.08 g/mol, XLogP of 15.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine is sourced from PubChem (CID 168722791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).