5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole

C50H30N2O — CID 134251865

IUPAC5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole
SMILESC1=Cc2ccc(-c3ccc4c(c3)c3ncccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12
InChIInChI=1S/C50H30N2O/c1-2-12-35(13-3-1)52-45-25-24-33(27-40(45)49-46(52)18-10-26-51-49)34-23-22-32-21-20-31-11-4-7-16-41(31)50(43(32)28-34)42-17-8-5-14-36(42)38-30-48-39(29-44(38)50)37-15-6-9-19-47(37)53-48/h1-30H
InChIKeyLQWYITKGKHNZLX-UHFFFAOYSA-N
MW674.80 g/mol
LogP12.59
Rot. Bonds2

About 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole

5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole (PubChem CID 134251865) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole.

Molecular Properties

Compound Name5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole
PubChem CID134251865
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole
SMILESC1=Cc2ccc(-c3ccc4c(c3)c3ncccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12
InChIInChI=1S/C50H30N2O/c1-2-12-35(13-3-1)52-45-25-24-33(27-40(45)49-46(52)18-10-26-51-49)34-23-22-32-21-20-31-11-4-7-16-41(31)50(43(32)28-34)42-17-8-5-14-36(42)38-30-48-39(29-44(38)50)37-15-6-9-19-47(37)53-48/h1-30H
InChIKeyLQWYITKGKHNZLX-UHFFFAOYSA-N
XLogP12.59
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole with MolForge

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Related Compounds

9-phenyl-3-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[2,3-b]indole
CID 134251873
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
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
8-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265556
1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole
CID 134573613
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
6-[3-[3-[8-[3-([1]benzofuro[2,3-b]pyridin-6-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[3-[3-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine
CID 160698146
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 137401879
8-[3-[3-[8-(3-dibenzofuran-2-ylphenyl)-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265578

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole?
The IUPAC name of 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole (CID 134251865) is 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole.
What is the SMILES notation for 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole?
The canonical SMILES for 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole is C1=Cc2ccc(-c3ccc4c(c3)c3ncccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.
What is the InChIKey of 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole?
The InChIKey is LQWYITKGKHNZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-12-35(13-3-1)52-45-25-24-33(27-40(45)49-46(52)18-10-26-51-49)34-23-22-32-21-20-31-11-4-7-16-41(31)50(43(32)28-34)42-17-8-5-14-36(42)38-30-48-39(29-44(38)50)37-15-6-9-19-47(37)53-48/h1-30H.
What are the key properties of 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole?
5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-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 5-phenyl-8-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrido[3,2-b]indole is sourced from PubChem (CID 134251865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).