N-(9,9-diphenylfluoren-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]-4'-amine

C74H46N2 — CID 135168301

About N-(9,9-diphenylfluoren-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]-4'-amine

N-(9,9-diphenylfluoren-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]-4'-amine (PubChem CID 135168301) has the molecular formula C74H46N2 and a molecular weight of 963.20 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-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]-4'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-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]-4'-amine
• PubChem CID: 135168301
• Molecular Formula: C74H46N2
• Molecular Weight: 963.20 g/mol
• Exact Mass: 962.37
• IUPAC Name: N-(9,9-diphenylfluoren-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]-4'-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1
• InChI: InChI=1S/C74H46N2/c1-3-22-47(23-4-1)73(48-24-5-2-6-25-48)60-34-14-11-31-57(60)70-63(73)37-20-42-68(70)75(49-44-45-54-52-28-8-7-26-50(52)51-27-9-10-29-53(51)59(54)46-49)69-43-21-38-64-71(69)58-32-12-15-35-61(58)74(64)62-36-16-18-41-67(62)76-66-40-17-13-30-55(66)56-33-19-39-65(74)72(56)76/h1-46H
• InChIKey: HOEOSXLHOHASMJ-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.20
LogP ≤ 5	18.75
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-diphenylfluoren-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]-4'-amine?

The IUPAC name of N-(9,9-diphenylfluoren-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]-4'-amine (CID 135168301) is N-(9,9-diphenylfluoren-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]-4'-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-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]-4'-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-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]-4'-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)cccc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-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]-4'-amine?

The InChIKey is HOEOSXLHOHASMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2/c1-3-22-47(23-4-1)73(48-24-5-2-6-25-48)60-34-14-11-31-57(60)70-63(73)37-20-42-68(70)75(49-44-45-54-52-28-8-7-26-50(52)51-27-9-10-29-53(51)59(54)46-49)69-43-21-38-64-71(69)58-32-12-15-35-61(58)74(64)62-36-16-18-41-67(62)76-66-40-17-13-30-55(66)56-33-19-39-65(74)72(56)76/h1-46H.

What are the key properties of N-(9,9-diphenylfluoren-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]-4'-amine?

N-(9,9-diphenylfluoren-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]-4'-amine has a molecular weight of 963.20 g/mol, XLogP of 18.75, 5 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-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]-4'-amine is sourced from PubChem (CID 135168301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).