5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole

C52H32N4O — CID 90265748

IUPAC5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7c7ncccc76)c5)cc4c3c2)c1
InChIInChI=1S/C52H32N4O/c1-3-18-45-41(16-1)51-47(20-8-26-53-51)55(45)39-14-6-12-35(29-39)33-10-5-11-34(28-33)37-22-24-49-43(31-37)44-32-38(23-25-50(44)57-49)36-13-7-15-40(30-36)56-46-19-4-2-17-42(46)52-48(56)21-9-27-54-52/h1-32H
InChIKeyYPTHZGKVWCGSFF-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.57
Rot. Bonds5

About 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole

5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole (PubChem CID 90265748) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole
PubChem CID90265748
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7c7ncccc76)c5)cc4c3c2)c1
InChIInChI=1S/C52H32N4O/c1-3-18-45-41(16-1)51-47(20-8-26-53-51)55(45)39-14-6-12-35(29-39)33-10-5-11-34(28-33)37-22-24-49-43(31-37)44-32-38(23-25-50(44)57-49)36-13-7-15-40(30-36)56-46-19-4-2-17-42(46)52-48(56)21-9-27-54-52/h1-32H
InChIKeyYPTHZGKVWCGSFF-UHFFFAOYSA-N
XLogP13.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole (CID 90265748) is 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)c2)cc(-c2ccc3oc4ccc(-c5cccc(-n6c7ccccc7c7ncccc76)c5)cc4c3c2)c1.
What is the InChIKey of 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole?
The InChIKey is YPTHZGKVWCGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-3-18-45-41(16-1)51-47(20-8-26-53-51)55(45)39-14-6-12-35(29-39)33-10-5-11-34(28-33)37-22-24-49-43(31-37)44-32-38(23-25-50(44)57-49)36-13-7-15-40(30-36)56-46-19-4-2-17-42(46)52-48(56)21-9-27-54-52/h1-32H.
What are the key properties of 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole?
5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole has a molecular weight of 728.86 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[8-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 90265748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).