N-(9,9-diphenylfluoren-2-yl)-N-(2-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

C68H44N2 — CID 135168507

About N-(9,9-diphenylfluoren-2-yl)-N-(2-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-diphenylfluoren-2-yl)-N-(2-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 135168507) has the molecular formula C68H44N2 and a molecular weight of 889.11 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(2-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-diphenylfluoren-2-yl)-N-(2-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: 135168507
• Molecular Formula: C68H44N2
• Molecular Weight: 889.11 g/mol
• Exact Mass: 888.35
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-(2-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: c1ccc(-c2ccccc2N(c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32c3ccccc3-c3ccccc32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C68H44N2/c1-4-21-45(22-5-1)50-27-13-18-37-63(50)69(48-39-41-54-53-30-10-15-33-57(53)67(62(54)43-48,46-23-6-2-7-24-46)47-25-8-3-9-26-47)49-40-42-60-65(44-49)70-64-38-19-14-31-55(64)56-32-20-36-61(66(56)70)68(60)58-34-16-11-28-51(58)52-29-12-17-35-59(52)68/h1-44H
• InChIKey: SFHLYWKEKCYNAJ-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.11
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(2-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-diphenylfluoren-2-yl)-N-(2-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 135168507) is N-(9,9-diphenylfluoren-2-yl)-N-(2-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-diphenylfluoren-2-yl)-N-(2-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-diphenylfluoren-2-yl)-N-(2-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 c1ccc(-c2ccccc2N(c2ccc3c(c2)-n2c4ccccc4c4cccc(c42)C32c3ccccc3-c3ccccc32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(2-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 SFHLYWKEKCYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2/c1-4-21-45(22-5-1)50-27-13-18-37-63(50)69(48-39-41-54-53-30-10-15-33-57(53)67(62(54)43-48,46-23-6-2-7-24-46)47-25-8-3-9-26-47)49-40-42-60-65(44-49)70-64-38-19-14-31-55(64)56-32-20-36-61(66(56)70)68(60)58-34-16-11-28-51(58)52-29-12-17-35-59(52)68/h1-44H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(2-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-diphenylfluoren-2-yl)-N-(2-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 889.11 g/mol, XLogP of 16.96, 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-2-yl)-N-(2-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 135168507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).