N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine

C89H55NO — CID 135229678

About N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 135229678) has the molecular formula C89H55NO and a molecular weight of 1154.42 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
• PubChem CID: 135229678
• Molecular Formula: C89H55NO
• Molecular Weight: 1154.42 g/mol
• Exact Mass: 1153.43
• IUPAC Name: N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)c4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1
• InChI: InChI=1S/C89H55NO/c1-3-25-60(26-4-1)87(61-27-5-2-6-28-61)75-37-16-14-35-70(75)73-54-63(45-50-80(73)87)90(64-46-51-81-74(55-64)71-36-15-20-41-79(71)88(81)76-38-17-11-32-67(76)68-33-12-18-39-77(68)88)62-29-21-24-58(52-62)59-42-47-72-69-34-13-19-40-78(69)89(84(72)53-59)82-48-43-56-22-7-9-30-65(56)85(82)91-86-66-31-10-8-23-57(66)44-49-83(86)89/h1-55H
• InChIKey: HEMHFTWOJCHWBF-UHFFFAOYSA-N
• XLogP: 22.31
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1154.42
LogP ≤ 5	22.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine?

The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 135229678) is N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)c4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)ccc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine?

The InChIKey is HEMHFTWOJCHWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H55NO/c1-3-25-60(26-4-1)87(61-27-5-2-6-28-61)75-37-16-14-35-70(75)73-54-63(45-50-80(73)87)90(64-46-51-81-74(55-64)71-36-15-20-41-79(71)88(81)76-38-17-11-32-67(76)68-33-12-18-39-77(68)88)62-29-21-24-58(52-62)59-42-47-72-69-34-13-19-40-78(69)89(84(72)53-59)82-48-43-56-22-7-9-30-65(56)85(82)91-86-66-31-10-8-23-57(66)44-49-83(86)89/h1-55H.

What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine?

N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 1154.42 g/mol, XLogP of 22.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-3-yl)-N-(3-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]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 135229678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).