N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine

C51H35N — CID 140962590

About N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine

N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine (PubChem CID 140962590) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
• PubChem CID: 140962590
• Molecular Formula: C51H35N
• Molecular Weight: 661.85 g/mol
• Exact Mass: 661.28
• IUPAC Name: N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
• SMILES: CCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C51H35N/c1-2-33-24-27-36(28-25-33)52(35-14-4-3-5-15-35)37-29-31-38-34(32-37)26-30-45-48-43-20-8-6-16-39(43)40-17-7-9-21-44(40)50(48)51(49(38)45)46-22-12-10-18-41(46)42-19-11-13-23-47(42)51/h3-32H,2H2,1H3
• InChIKey: FADGVLKFEFBUMM-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.85
LogP ≤ 5	13.52
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-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine?

The IUPAC name of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine (CID 140962590) is N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine.

What is the SMILES notation for N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine?

The canonical SMILES for N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine is CCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine?

The InChIKey is FADGVLKFEFBUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-2-33-24-27-36(28-25-33)52(35-14-4-3-5-15-35)37-29-31-38-34(32-37)26-30-45-48-43-20-8-6-16-39(43)40-17-7-9-21-44(40)50(48)51(49(38)45)46-22-12-10-18-41(46)42-19-11-13-23-47(42)51/h3-32H,2H2,1H3.

What are the key properties of N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine?

N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine has a molecular weight of 661.85 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine is sourced from PubChem (CID 140962590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).