5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole

C47H29N3 — CID 134258435

About 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole

5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole (PubChem CID 134258435) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole
• PubChem CID: 134258435
• Molecular Formula: C47H29N3
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.24
• IUPAC Name: 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole
• SMILES: C1=Cc2ccc(-c3ccc4c(c3)c3cnccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3ccccc3cc12
• InChI: InChI=1S/C47H29N3/c1-2-11-33-28-43-37(25-32(33)10-1)36-12-4-6-14-41(36)47(43)40-13-5-3-9-30(40)16-17-31-18-19-35(27-42(31)47)34-20-21-44-38(26-34)39-29-48-24-22-45(39)50(44)46-15-7-8-23-49-46/h1-29H
• InChIKey: OOCDGKIIXIEDJV-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole?

The IUPAC name of 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole (CID 134258435) is 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole.

What is the SMILES notation for 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole?

The canonical SMILES for 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole is C1=Cc2ccc(-c3ccc4c(c3)c3cnccc3n4-c3ccccn3)cc2C2(c3ccccc31)c1ccccc1-c1cc3ccccc3cc12.

What is the InChIKey of 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole?

The InChIKey is OOCDGKIIXIEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-2-11-33-28-43-37(25-32(33)10-1)36-12-4-6-14-41(36)47(43)40-13-5-3-9-30(40)16-17-31-18-19-35(27-42(31)47)34-20-21-44-38(26-34)39-29-48-24-22-45(39)50(44)46-15-7-8-23-49-46/h1-29H.

What are the key properties of 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole?

5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole has a molecular weight of 635.77 g/mol, XLogP of 11.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-pyridin-2-yl-8-spiro[benzo[b]fluorene-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[4,3-b]indole is sourced from PubChem (CID 134258435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).