N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

C78H48N2 — CID 135168595

About N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 135168595) has the molecular formula C78H48N2 and a molecular weight of 1013.26 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
• PubChem CID: 135168595
• Molecular Formula: C78H48N2
• Molecular Weight: 1013.26 g/mol
• Exact Mass: 1012.38
• IUPAC Name: N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21
• InChI: InChI=1S/C78H48N2/c1-2-20-55-50(18-1)19-15-26-56(55)51-40-45-54(46-41-51)79(74-37-17-33-69-75(74)63-25-6-11-31-67(63)77(69)64-28-8-3-21-57(64)58-22-4-9-29-65(58)77)53-43-38-49(39-44-53)52-42-47-60-59-23-5-10-30-66(59)78(71(60)48-52)68-32-12-14-36-73(68)80-72-35-13-7-24-61(72)62-27-16-34-70(78)76(62)80/h1-48H
• InChIKey: CDSNTJZHHZCQPN-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.26
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 135168595) is N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-n5c6ccccc6c6cccc4c65)cc3)c3ccc(-c4cccc5ccccc45)cc3)cccc21.

What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?

The InChIKey is CDSNTJZHHZCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N2/c1-2-20-55-50(18-1)19-15-26-56(55)51-40-45-54(46-41-51)79(74-37-17-33-69-75(74)63-25-6-11-31-67(63)77(69)64-28-8-3-21-57(64)58-22-4-9-29-65(58)77)53-43-38-49(39-44-53)52-42-47-60-59-23-5-10-30-66(59)78(71(60)48-52)68-32-12-14-36-73(68)80-72-35-13-7-24-61(72)62-27-16-34-70(78)76(62)80/h1-48H.

What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?

N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 1013.26 g/mol, XLogP of 19.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-1-ylphenyl)-N-(4-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'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 135168595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).