N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine

C68H47NO — CID 135229457

About N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine (PubChem CID 135229457) has the molecular formula C68H47NO and a molecular weight of 894.13 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine
• PubChem CID: 135229457
• Molecular Formula: C68H47NO
• Molecular Weight: 894.13 g/mol
• Exact Mass: 893.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)-c3ccccc3CC4)cc21
• InChI: InChI=1S/C68H47NO/c1-67(2)58-23-11-9-20-54(58)55-37-36-49(41-63(55)67)69(48-35-30-46-27-26-42-14-3-6-17-50(42)57(46)40-48)47-33-28-45(29-34-47)51-22-13-25-60-64(51)56-21-10-12-24-59(56)68(60)61-38-31-43-15-4-7-18-52(43)65(61)70-66-53-19-8-5-16-44(53)32-39-62(66)68/h3-25,28-41H,26-27H2,1-2H3
• InChIKey: LCTRNEXAQOMTSJ-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.13
LogP ≤ 5	17.67
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)-N-(4-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)-9,10-dihydrophenanthren-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine (CID 135229457) is N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccc6ccccc6c5Oc5c4ccc4ccccc54)cc3)c3ccc4c(c3)-c3ccccc3CC4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine?

The InChIKey is LCTRNEXAQOMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NO/c1-67(2)58-23-11-9-20-54(58)55-37-36-49(41-63(55)67)69(48-35-30-46-27-26-42-14-3-6-17-50(42)57(46)40-48)47-33-28-45(29-34-47)51-22-13-25-60-64(51)56-21-10-12-24-59(56)68(60)61-38-31-43-15-4-7-18-52(43)65(61)70-66-53-19-8-5-16-44(53)32-39-62(66)68/h3-25,28-41H,26-27H2,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(4-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)-9,10-dihydrophenanthren-3-amine has a molecular weight of 894.13 g/mol, XLogP of 17.67, 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)-N-(4-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)-9,10-dihydrophenanthren-3-amine is sourced from PubChem (CID 135229457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).