N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine

C61H39N — CID 137493757

About N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine

N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine (PubChem CID 137493757) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine.

Molecular Properties

• Compound Name: N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
• PubChem CID: 137493757
• Molecular Formula: C61H39N
• Molecular Weight: 785.99 g/mol
• Exact Mass: 785.31
• IUPAC Name: N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3c-5c4ccccc4c4ccccc34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C61H39N/c1-4-18-40(19-5-1)42-33-35-58(53(37-42)41-20-6-2-7-21-41)62(45-22-8-3-9-23-45)46-34-32-43-38-54-57(39-44(43)36-46)61(55-30-16-14-26-49(55)50-27-15-17-31-56(50)61)60-52-29-13-11-25-48(52)47-24-10-12-28-51(47)59(54)60/h1-39H
• InChIKey: GAUSZDGTQBZXDV-UHFFFAOYSA-N
• XLogP: 16.29
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.99
LogP ≤ 5	16.29
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-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

The IUPAC name of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine (CID 137493757) is N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine.

What is the SMILES notation for N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

The canonical SMILES for N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3c-5c4ccccc4c4ccccc34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

The InChIKey is GAUSZDGTQBZXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-4-18-40(19-5-1)42-33-35-58(53(37-42)41-20-6-2-7-21-41)62(45-22-8-3-9-23-45)46-34-32-43-38-54-57(39-44(43)36-46)61(55-30-16-14-26-49(55)50-27-15-17-31-56(50)61)60-52-29-13-11-25-48(52)47-24-10-12-28-51(47)59(54)60/h1-39H.

What are the key properties of N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine?

N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine has a molecular weight of 785.99 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-amine is sourced from PubChem (CID 137493757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).