9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole

C50H30N2O — CID 134251881

About 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole

9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole (PubChem CID 134251881) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
• PubChem CID: 134251881
• Molecular Formula: C50H30N2O
• Molecular Weight: 674.80 g/mol
• Exact Mass: 674.24
• IUPAC Name: 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
• SMILES: C1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2oc3ccccc3c12
• InChI: InChI=1S/C50H30N2O/c1-2-13-35(14-3-1)52-44-20-10-6-15-36(44)39-28-34(30-51-49(39)52)33-25-24-32-23-22-31-12-4-8-18-40(31)50(43(32)29-33)41-19-9-5-16-37(41)47-42(50)26-27-46-48(47)38-17-7-11-21-45(38)53-46/h1-30H
• InChIKey: GJLOPFMCQJPXHK-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.80
LogP ≤ 5	12.59
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 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

The IUPAC name of 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole (CID 134251881) is 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole.

What is the SMILES notation for 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

The canonical SMILES for 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole is C1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2oc3ccccc3c12.

What is the InChIKey of 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

The InChIKey is GJLOPFMCQJPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-13-35(14-3-1)52-44-20-10-6-15-36(44)39-28-34(30-51-49(39)52)33-25-24-32-23-22-31-12-4-8-18-40(31)50(43(32)29-33)41-19-9-5-16-37(41)47-42(50)26-27-46-48(47)38-17-7-11-21-45(38)53-46/h1-30H.

What are the key properties of 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole?

9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole has a molecular weight of 674.80 g/mol, XLogP of 12.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole is sourced from PubChem (CID 134251881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).