N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine

C71H48N2 — CID 135168520

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine (PubChem CID 135168520) has the molecular formula C71H48N2 and a molecular weight of 929.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine
• PubChem CID: 135168520
• Molecular Formula: C71H48N2
• Molecular Weight: 929.18 g/mol
• Exact Mass: 928.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21
• InChI: InChI=1S/C71H48N2/c1-69(2)58-30-14-9-24-50(58)54-39-36-47(42-64(54)69)72(48-37-40-55-53-27-10-15-31-59(53)70(65(55)43-48,45-20-5-3-6-21-45)46-22-7-4-8-23-46)49-38-41-62-67(44-49)73-66-35-18-13-28-56(66)57-29-19-34-63(68(57)73)71(62)60-32-16-11-25-51(60)52-26-12-17-33-61(52)71/h3-44H,1-2H3
• InChIKey: XGPUUDMWGBHKNI-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.18
LogP ≤ 5	17.60
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-diphenylfluoren-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]-17-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine (CID 135168520) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine?

The InChIKey is XGPUUDMWGBHKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N2/c1-69(2)58-30-14-9-24-50(58)54-39-36-47(42-64(54)69)72(48-37-40-55-53-27-10-15-31-59(53)70(65(55)43-48,45-20-5-3-6-21-45)46-22-7-4-8-23-46)49-38-41-62-67(44-49)73-66-35-18-13-28-56(66)57-29-19-34-63(68(57)73)71(62)60-32-16-11-25-51(60)52-26-12-17-33-61(52)71/h3-44H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-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]-17-amine has a molecular weight of 929.18 g/mol, XLogP of 17.60, 5 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-diphenylfluoren-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]-17-amine is sourced from PubChem (CID 135168520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).