9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine

C65H43NO — CID 138568391

About 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine

9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine (PubChem CID 138568391) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine
• PubChem CID: 138568391
• Molecular Formula: C65H43NO
• Molecular Weight: 854.07 g/mol
• Exact Mass: 853.33
• IUPAC Name: 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine
• SMILES: CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cccc21
• InChI: InChI=1S/C65H43NO/c1-64(44-22-4-2-5-23-44)52-32-15-12-29-50(52)61-54(64)34-19-37-59(61)66(45-24-6-3-7-25-45)58-36-17-14-28-48(58)49-31-18-35-55-60(49)51-30-13-16-33-53(51)65(55)56-40-38-42-20-8-10-26-46(42)62(56)67-63-47-27-11-9-21-43(47)39-41-57(63)65/h2-41H,1H3
• InChIKey: DUFBHPJRESZJBG-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.07
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine?

The IUPAC name of 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine (CID 138568391) is 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine.

What is the SMILES notation for 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine?

The canonical SMILES for 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cccc21.

What is the InChIKey of 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine?

The InChIKey is DUFBHPJRESZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-64(44-22-4-2-5-23-44)52-32-15-12-29-50(52)61-54(64)34-19-37-59(61)66(45-24-6-3-7-25-45)58-36-17-14-28-48(58)49-31-18-35-55-60(49)51-30-13-16-33-53(51)65(55)56-40-38-42-20-8-10-26-46(42)62(56)67-63-47-27-11-9-21-43(47)39-41-57(63)65/h2-41H,1H3.

What are the key properties of 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine?

9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine has a molecular weight of 854.07 g/mol, XLogP of 16.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 138568391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).