9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole

C59H35N3OS — CID 70847783

IUPAC9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C59H35N3OS/c1-4-24-52-44(16-1)49-23-11-31-60-59(49)62(52)41-28-30-54-51(35-41)50-34-39(42-19-9-21-47-45-17-2-5-25-55(45)63-57(42)47)27-29-53(50)61(54)40-15-8-13-37(33-40)36-12-7-14-38(32-36)43-20-10-22-48-46-18-3-6-26-56(46)64-58(43)48/h1-35H
InChIKeyFAZYPMLKEPKNCE-UHFFFAOYSA-N
MW834.02 g/mol
LogP16.54
Rot. Bonds5

About 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole

9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole (PubChem CID 70847783) has the molecular formula C59H35N3OS and a molecular weight of 834.02 g/mol. Its IUPAC name is 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole
PubChem CID70847783
Molecular FormulaC59H35N3OS
Molecular Weight834.02 g/mol
Exact Mass833.25
IUPAC Name9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole
SMILESc1cc(-c2cccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C59H35N3OS/c1-4-24-52-44(16-1)49-23-11-31-60-59(49)62(52)41-28-30-54-51(35-41)50-34-39(42-19-9-21-47-45-17-2-5-25-55(45)63-57(42)47)27-29-53(50)61(54)40-15-8-13-37(33-40)36-12-7-14-38(32-36)43-20-10-22-48-46-18-3-6-26-56(46)64-58(43)48/h1-35H
InChIKeyFAZYPMLKEPKNCE-UHFFFAOYSA-N
XLogP16.54
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.02
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole?
The IUPAC name of 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole (CID 70847783) is 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole is c1cc(-c2cccc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-n5c6ccccc6c6cccnc65)ccc43)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole?
The InChIKey is FAZYPMLKEPKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3OS/c1-4-24-52-44(16-1)49-23-11-31-60-59(49)62(52)41-28-30-54-51(35-41)50-34-39(42-19-9-21-47-45-17-2-5-25-55(45)63-57(42)47)27-29-53(50)61(54)40-15-8-13-37(33-40)36-12-7-14-38(32-36)43-20-10-22-48-46-18-3-6-26-56(46)64-58(43)48/h1-35H.
What are the key properties of 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole?
9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole has a molecular weight of 834.02 g/mol, XLogP of 16.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-dibenzofuran-4-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]pyrido[2,3-b]indole is sourced from PubChem (CID 70847783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).