N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine

C76H46N2 — CID 135168681

About N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine

N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 135168681) has the molecular formula C76H46N2 and a molecular weight of 987.22 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 135168681
• Molecular Formula: C76H46N2
• Molecular Weight: 987.22 g/mol
• Exact Mass: 986.37
• IUPAC Name: N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)ccc4c3)c3cccc4ccccc34)cccc21
• InChI: InChI=1S/C76H46N2/c1-2-20-53-47(18-1)19-15-36-69(53)77(72-37-17-32-66-73(72)60-25-6-11-30-64(60)75(66)61-27-8-3-21-54(61)55-22-4-9-28-62(55)75)52-42-40-49-44-48(38-39-50(49)45-52)51-41-43-57-56-23-5-10-29-63(56)76(68(57)46-51)65-31-12-14-35-71(65)78-70-34-13-7-24-58(70)59-26-16-33-67(76)74(59)78/h1-46H
• InChIKey: LYLNFFKBPCUPSJ-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.22
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine (CID 135168681) is N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4cc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)ccc4c3)c3cccc4ccccc34)cccc21.

What is the InChIKey of N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is LYLNFFKBPCUPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N2/c1-2-20-53-47(18-1)19-15-36-69(53)77(72-37-17-32-66-73(72)60-25-6-11-30-64(60)75(66)61-27-8-3-21-54(61)55-22-4-9-28-62(55)75)52-42-40-49-44-48(38-39-50(49)45-52)51-41-43-57-56-23-5-10-29-63(56)76(68(57)46-51)65-31-12-14-35-71(65)78-70-34-13-7-24-58(70)59-26-16-33-67(76)74(59)78/h1-46H.

What are the key properties of N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine?

N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 987.22 g/mol, XLogP of 19.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-(6-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 135168681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).