N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine

C74H44N2 — CID 135168024

About N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine

N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine (PubChem CID 135168024) has the molecular formula C74H44N2 and a molecular weight of 961.18 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine.

Molecular Properties

• Compound Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine
• PubChem CID: 135168024
• Molecular Formula: C74H44N2
• Molecular Weight: 961.18 g/mol
• Exact Mass: 960.35
• IUPAC Name: N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21
• InChI: InChI=1S/C74H44N2/c1-2-21-49-47(19-1)48-20-3-4-22-50(48)59-43-45(39-41-51(49)59)75(70-38-18-34-65-71(70)58-27-8-13-32-63(58)73(65)60-29-10-5-23-52(60)53-24-6-11-30-61(53)73)46-40-42-55-54-25-7-12-31-62(54)74(67(55)44-46)64-33-14-16-37-69(64)76-68-36-15-9-26-56(68)57-28-17-35-66(74)72(57)76/h1-44H
• InChIKey: DNAPONAWISWATI-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.18
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine?

The IUPAC name of N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine (CID 135168024) is N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine.

What is the SMILES notation for N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine?

The canonical SMILES for N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3ccc4c5ccccc5c5ccccc5c4c3)cccc21.

What is the InChIKey of N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine?

The InChIKey is DNAPONAWISWATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N2/c1-2-21-49-47(19-1)48-20-3-4-22-50(48)59-43-45(39-41-51(49)59)75(70-38-18-34-65-71(70)58-27-8-13-32-63(58)73(65)60-29-10-5-23-52(60)53-24-6-11-30-61(53)73)46-40-42-55-54-25-7-12-31-62(54)74(67(55)44-46)64-33-14-16-37-69(64)76-68-36-15-9-26-56(68)57-28-17-35-66(74)72(57)76/h1-44H.

What are the key properties of N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine?

N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine has a molecular weight of 961.18 g/mol, XLogP of 18.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-2-ylspiro[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'-amine is sourced from PubChem (CID 135168024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).