N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine

C55H35N — CID 140962308

About N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine

N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine (PubChem CID 140962308) has the molecular formula C55H35N and a molecular weight of 709.89 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine
• PubChem CID: 140962308
• Molecular Formula: C55H35N
• Molecular Weight: 709.89 g/mol
• Exact Mass: 709.28
• IUPAC Name: N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine
• SMILES: c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C55H35N/c1-3-17-36(18-4-1)40-22-13-16-30-51(40)56(38-20-5-2-6-21-38)39-32-34-46-48(35-39)42-24-9-10-27-45(42)52-47-33-31-37-19-7-8-23-41(37)53(47)55(54(46)52)49-28-14-11-25-43(49)44-26-12-15-29-50(44)55/h1-35H
• InChIKey: DDONXIQSSXWGLS-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.89
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

The IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine (CID 140962308) is N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine.

What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

The canonical SMILES for N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c4c(c5ccccc5c3c2)-c2ccc3ccccc3c2C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

The InChIKey is DDONXIQSSXWGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N/c1-3-17-36(18-4-1)40-22-13-16-30-51(40)56(38-20-5-2-6-21-38)39-32-34-46-48(35-39)42-24-9-10-27-45(42)52-47-33-31-37-19-7-8-23-41(37)53(47)55(54(46)52)49-28-14-11-25-43(49)44-26-12-15-29-50(44)55/h1-35H.

What are the key properties of N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine?

N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine has a molecular weight of 709.89 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5'-amine is sourced from PubChem (CID 140962308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).