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

C50H30N2O — CID 134251873

IUPAC9-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
SMILESC1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12
InChIInChI=1S/C50H30N2O/c1-2-13-35(14-3-1)52-46-20-10-6-16-37(46)41-26-34(30-51-49(41)52)33-25-24-32-23-22-31-12-4-8-18-42(31)50(44(32)27-33)43-19-9-5-15-36(43)39-29-48-40(28-45(39)50)38-17-7-11-21-47(38)53-48/h1-30H
InChIKeyPPOPTGHRXPBNMN-UHFFFAOYSA-N
MW674.80 g/mol
LogP12.59
Rot. Bonds2

About 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

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 (PubChem CID 134251873) has the molecular formula C50H30N2O and a molecular weight of 674.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID134251873
Molecular FormulaC50H30N2O
Molecular Weight674.80 g/mol
Exact Mass674.24
IUPAC Name9-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
SMILESC1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12
InChIInChI=1S/C50H30N2O/c1-2-13-35(14-3-1)52-46-20-10-6-16-37(46)41-26-34(30-51-49(41)52)33-25-24-32-23-22-31-12-4-8-18-42(31)50(44(32)27-33)43-19-9-5-15-36(43)39-29-48-40(28-45(39)50)38-17-7-11-21-47(38)53-48/h1-30H
InChIKeyPPOPTGHRXPBNMN-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 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 with MolForge

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Related Compounds

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
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
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
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
2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[2,3-b][1]benzofuran-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
CID 134251771
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 169014242
9-(4,6-diphenylpyrimidin-2-yl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-3'-ylcarbazole
CID 153483840
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2ccc(-c3cnc4c(c3)c3ccccc3n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.
What is the InChIKey of 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?
The InChIKey is PPOPTGHRXPBNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O/c1-2-13-35(14-3-1)52-46-20-10-6-16-37(46)41-26-34(30-51-49(41)52)33-25-24-32-23-22-31-12-4-8-18-42(31)50(44(32)27-33)43-19-9-5-15-36(43)39-29-48-40(28-45(39)50)38-17-7-11-21-47(38)53-48/h1-30H.
What are the key properties of 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?
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 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[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 is sourced from PubChem (CID 134251873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).