N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

C71H46N2 — CID 135168401

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine (PubChem CID 135168401) has the molecular formula C71H46N2 and a molecular weight of 927.16 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
• PubChem CID: 135168401
• Molecular Formula: C71H46N2
• Molecular Weight: 927.16 g/mol
• Exact Mass: 926.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc5c6ccccc6n-4c35)cc21
• InChI: InChI=1S/C71H46N2/c1-69(2)56-26-10-3-18-46(56)52-37-34-43(40-63(52)69)72(44-35-38-53-51-23-8-13-29-59(51)70(64(53)41-44)57-27-11-4-19-47(57)48-20-5-12-28-58(48)70)45-36-39-67-65(42-45)71(60-30-14-6-21-49(60)50-22-7-15-31-61(50)71)62-32-17-25-55-54-24-9-16-33-66(54)73(67)68(55)62/h3-42H,1-2H3
• InChIKey: KJHHCYSSKROVIU-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.16
LogP ≤ 5	17.58
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-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine (CID 135168401) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc5c6ccccc6n-4c35)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?

The InChIKey is KJHHCYSSKROVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2/c1-69(2)56-26-10-3-18-46(56)52-37-34-43(40-63(52)69)72(44-35-38-53-51-23-8-13-29-59(51)70(64(53)41-44)57-27-11-4-19-47(57)48-20-5-12-28-58(48)70)45-36-39-67-65(42-45)71(60-30-14-6-21-49(60)50-22-7-15-31-61(50)71)62-32-17-25-55-54-24-9-16-33-66(54)73(67)68(55)62/h3-42H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine has a molecular weight of 927.16 g/mol, XLogP of 17.58, 3 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-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine is sourced from PubChem (CID 135168401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).