2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide

C47H29N2- — CID 145353079

About 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide

2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide (PubChem CID 145353079) has the molecular formula C47H29N2- and a molecular weight of 621.76 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide.

Molecular Properties

• Compound Name: 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide
• PubChem CID: 145353079
• Molecular Formula: C47H29N2-
• Molecular Weight: 621.76 g/mol
• Exact Mass: 621.23
• IUPAC Name: 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide
• SMILES: C1=CC(c2ccccn2)[N-]C(c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)=C1
• InChI: InChI=1S/C47H29N2/c1-3-16-36-32(12-1)33-13-2-4-17-37(33)46-44(36)38-26-23-29-28-30(41-21-11-22-43(49-41)42-20-9-10-27-48-42)24-25-31(29)45(38)47(46)39-18-7-5-14-34(39)35-15-6-8-19-40(35)47/h1-28,43H/q-1
• InChIKey: OMWGQXUTWOQWOE-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 26.99 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.76
LogP ≤ 5	11.91
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 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide?

The IUPAC name of 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide (CID 145353079) is 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide.

What is the SMILES notation for 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide?

The canonical SMILES for 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide is C1=CC(c2ccccn2)[N-]C(c2ccc3c4c(ccc3c2)-c2c(c3ccccc3c3ccccc23)C42c3ccccc3-c3ccccc32)=C1.

What is the InChIKey of 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide?

The InChIKey is OMWGQXUTWOQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N2/c1-3-16-36-32(12-1)33-13-2-4-17-37(33)46-44(36)38-26-23-29-28-30(41-21-11-22-43(49-41)42-20-9-10-27-48-42)24-25-31(29)45(38)47(46)39-18-7-5-14-34(39)35-15-6-8-19-40(35)47/h1-28,43H/q-1.

What are the key properties of 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide?

2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide has a molecular weight of 621.76 g/mol, XLogP of 11.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-6-spiro[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'-yl-2H-pyridin-1-ide is sourced from PubChem (CID 145353079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).