N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine

C60H41NO — CID 135229942

About N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine

N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine (PubChem CID 135229942) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine
• PubChem CID: 135229942
• Molecular Formula: C60H41NO
• Molecular Weight: 791.99 g/mol
• Exact Mass: 791.32
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cccc21
• InChI: InChI=1S/C60H41NO/c1-59(2)46-27-13-10-25-44(46)55-48(59)29-16-32-53(55)61(52-31-15-12-22-41(52)38-18-4-3-5-19-38)54-33-17-30-49-56(54)45-26-11-14-28-47(45)60(49)50-36-34-39-20-6-8-23-42(39)57(50)62-58-43-24-9-7-21-40(43)35-37-51(58)60/h3-37H,1-2H3
• InChIKey: LOFSKIVNRWEZGI-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.99
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine (CID 135229942) is N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccc5ccccc5c4Oc4c3ccc3ccccc43)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine?

The InChIKey is LOFSKIVNRWEZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-59(2)46-27-13-10-25-44(46)55-48(59)29-16-32-53(55)61(52-31-15-12-22-41(52)38-18-4-3-5-19-38)54-33-17-30-49-56(54)45-26-11-14-28-47(45)60(49)50-36-34-39-20-6-8-23-42(39)57(50)62-58-43-24-9-7-21-40(43)35-37-51(58)60/h3-37H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine?

N-(9,9-dimethylfluoren-4-yl)-N-(2-phenylphenyl)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'-amine has a molecular weight of 791.99 g/mol, XLogP of 15.90, 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-4-yl)-N-(2-phenylphenyl)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'-amine is sourced from PubChem (CID 135229942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).