N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine

C60H40N2 — CID 167126746

About N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine

N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine (PubChem CID 167126746) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
• PubChem CID: 167126746
• Molecular Formula: C60H40N2
• Molecular Weight: 788.99 g/mol
• Exact Mass: 788.32
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c5c(ccc6c5c5c(cccc5n6-c5ccc6ccccc6c5)C45c4ccccc4-c4ccccc45)c3)cc21
• InChI: InChI=1S/C60H40N2/c1-59(2)48-22-11-8-19-44(48)47-31-30-42(35-52(47)59)61(40-17-4-3-5-18-40)43-34-39-28-32-55-58-56(39)53(36-43)60(49-23-12-9-20-45(49)46-21-10-13-24-50(46)60)51-25-14-26-54(57(51)58)62(55)41-29-27-37-15-6-7-16-38(37)33-41/h3-36H,1-2H3
• InChIKey: ANMYXNMLCFDYHV-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.99
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine (CID 167126746) is N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c5c(ccc6c5c5c(cccc5n6-c5ccc6ccccc6c5)C45c4ccccc4-c4ccccc45)c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine?

The InChIKey is ANMYXNMLCFDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-59(2)48-22-11-8-19-44(48)47-31-30-42(35-52(47)59)61(40-17-4-3-5-18-40)43-34-39-28-32-55-58-56(39)53(36-43)60(49-23-12-9-20-45(49)46-21-10-13-24-50(46)60)51-25-14-26-54(57(51)58)62(55)41-29-27-37-15-6-7-16-38(37)33-41/h3-36H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine?

N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine has a molecular weight of 788.99 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine is sourced from PubChem (CID 167126746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).