N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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

C64H44N2 — CID 167176362

About N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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 167176362) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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: 167176362
• Molecular Formula: C64H44N2
• Molecular Weight: 841.07 g/mol
• Exact Mass: 840.35
• IUPAC Name: N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)cc21
• InChI: InChI=1S/C64H44N2/c1-63(2)58-38-44(42-19-7-4-8-20-42)31-34-50(58)51-35-32-46(39-59(51)63)65(45-22-15-21-43(37-45)41-17-5-3-6-18-41)47-33-36-56-61(40-47)66-60-30-14-11-25-52(60)53-26-16-29-57(62(53)66)64(56)54-27-12-9-23-48(54)49-24-10-13-28-55(49)64/h3-40H,1-2H3
• InChIKey: UANRLFLYCKUHRV-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.07
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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 167176362) is N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-n3c5ccccc5c5cccc(c53)C43c4ccccc4-c4ccccc43)cc21.

What is the InChIKey of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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 UANRLFLYCKUHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-63(2)58-38-44(42-19-7-4-8-20-42)31-34-50(58)51-35-32-46(39-59(51)63)65(45-22-15-21-43(37-45)41-17-5-3-6-18-41)47-33-36-56-61(40-47)66-60-30-14-11-25-52(60)53-26-16-29-57(62(53)66)64(56)54-27-12-9-23-48(54)49-24-10-13-28-55(49)64/h3-40H,1-2H3.

What are the key properties of N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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 841.07 g/mol, XLogP of 16.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(3-phenylphenyl)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 167176362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).