N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

C72H46N2 — CID 135168573

About N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine (PubChem CID 135168573) has the molecular formula C72H46N2 and a molecular weight of 939.17 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
• PubChem CID: 135168573
• Molecular Formula: C72H46N2
• Molecular Weight: 939.17 g/mol
• Exact Mass: 938.37
• IUPAC Name: N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5-c5ccccc54)cccc32)cc1
• InChI: InChI=1S/C72H46N2/c1-3-22-49(23-4-1)71(50-24-5-2-6-25-50)62-34-14-11-29-58(62)69-64(71)36-19-39-68(69)73(51-42-40-48(41-43-51)54-30-17-21-47-20-7-8-26-53(47)54)52-44-45-66-59(46-52)57-31-18-37-65-70(57)74(66)67-38-16-15-35-63(67)72(65)60-32-12-9-27-55(60)56-28-10-13-33-61(56)72/h1-46H
• InChIKey: OORVZKFHCTXSAD-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.17
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine (CID 135168573) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5-c5ccccc54)cccc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

The InChIKey is OORVZKFHCTXSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2/c1-3-22-49(23-4-1)71(50-24-5-2-6-25-50)62-34-14-11-29-58(62)69-64(71)36-19-39-68(69)73(51-42-40-48(41-43-51)54-30-17-21-47-20-7-8-26-53(47)54)52-44-45-66-59(46-52)57-31-18-37-65-70(57)74(66)67-38-16-15-35-63(67)72(65)60-32-12-9-27-55(60)56-28-10-13-33-61(56)72/h1-46H.

What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine?

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine has a molecular weight of 939.17 g/mol, XLogP of 18.11, 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-4-yl)-N-(4-naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine is sourced from PubChem (CID 135168573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).