1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline

C56H34N6 — CID 140917920

IUPAC1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3nc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4nc32)c1
InChIInChI=1S/C56H34N6/c1-8-25-44-37(18-1)38-19-2-9-26-45(38)59(44)35-16-15-17-36(34-35)60-50-31-14-7-24-43(50)53-56(60)58-55-52(62-48-29-12-5-22-41(48)42-23-6-13-30-49(42)62)33-32-51(54(55)57-53)61-46-27-10-3-20-39(46)40-21-4-11-28-47(40)61/h1-34H
InChIKeyDFYOAVIEWRECJR-UHFFFAOYSA-N
MW790.93 g/mol
LogP14.02
Rot. Bonds4

About 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline

1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline (PubChem CID 140917920) has the molecular formula C56H34N6 and a molecular weight of 790.93 g/mol. Its IUPAC name is 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline
PubChem CID140917920
Molecular FormulaC56H34N6
Molecular Weight790.93 g/mol
Exact Mass790.28
IUPAC Name1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3nc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4nc32)c1
InChIInChI=1S/C56H34N6/c1-8-25-44-37(18-1)38-19-2-9-26-45(38)59(44)35-16-15-17-36(34-35)60-50-31-14-7-24-43(50)53-56(60)58-55-52(62-48-29-12-5-22-41(48)42-23-6-13-30-49(42)62)33-32-51(54(55)57-53)61-46-27-10-3-20-39(46)40-21-4-11-28-47(40)61/h1-34H
InChIKeyDFYOAVIEWRECJR-UHFFFAOYSA-N
XLogP14.02
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole
CID 118487924
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
3-carbazol-9-ylbenzenethiol
CID 138734819

Frequently Asked Questions

What is the IUPAC name of 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline?
The IUPAC name of 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline (CID 140917920) is 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline.
What is the SMILES notation for 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline?
The canonical SMILES for 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3nc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4nc32)c1.
What is the InChIKey of 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline?
The InChIKey is DFYOAVIEWRECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6/c1-8-25-44-37(18-1)38-19-2-9-26-45(38)59(44)35-16-15-17-36(34-35)60-50-31-14-7-24-43(50)53-56(60)58-55-52(62-48-29-12-5-22-41(48)42-23-6-13-30-49(42)62)33-32-51(54(55)57-53)61-46-27-10-3-20-39(46)40-21-4-11-28-47(40)61/h1-34H.
What are the key properties of 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline?
1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline has a molecular weight of 790.93 g/mol, XLogP of 14.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline is sourced from PubChem (CID 140917920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).