N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine

C50H33N — CID 137494910

About N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine

N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine (PubChem CID 137494910) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine
• PubChem CID: 137494910
• Molecular Formula: C50H33N
• Molecular Weight: 647.82 g/mol
• Exact Mass: 647.26
• IUPAC Name: N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine
• SMILES: Cc1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)c1
• InChI: InChI=1S/C50H33N/c1-32-16-15-19-34(30-32)51(33-17-3-2-4-18-33)46-31-43-47-40-25-8-5-20-35(40)36-21-6-9-26-41(36)49(47)50(48(43)42-27-10-7-24-39(42)46)44-28-13-11-22-37(44)38-23-12-14-29-45(38)50/h2-31H,1H3
• InChIKey: MKEZQJUFMCVUEY-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.82
LogP ≤ 5	13.27
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-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine?

The IUPAC name of N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine (CID 137494910) is N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine.

What is the SMILES notation for N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine?

The canonical SMILES for N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine is Cc1cccc(N(c2ccccc2)c2cc3c(c4ccccc24)C2(c4ccccc4-c4ccccc42)c2c-3c3ccccc3c3ccccc23)c1.

What is the InChIKey of N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine?

The InChIKey is MKEZQJUFMCVUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-32-16-15-19-34(30-32)51(33-17-3-2-4-18-33)46-31-43-47-40-25-8-5-20-35(40)36-21-6-9-26-41(36)49(47)50(48(43)42-27-10-7-24-39(42)46)44-28-13-11-22-37(44)38-23-12-14-29-45(38)50/h2-31H,1H3.

What are the key properties of N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine?

N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine has a molecular weight of 647.82 g/mol, XLogP of 13.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-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),16,18,20,22-dodecaene]-17'-amine is sourced from PubChem (CID 137494910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).