2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine

C46H28N4O — CID 134351392

IUPAC2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc3oc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C46H28N4O/c1-4-14-29(15-5-1)42-43(30-16-6-2-7-17-30)48-46-44(47-42)36-25-24-32(28-40(36)51-46)49-38-23-13-11-21-35(38)41-39(49)27-26-34-33-20-10-12-22-37(33)50(45(34)41)31-18-8-3-9-19-31/h1-28H
InChIKeyUBWBJZLNPKATJF-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.90
Rot. Bonds4

About 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine

2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 134351392) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID134351392
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc3oc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4c3nc2-c2ccccc2)cc1
InChIInChI=1S/C46H28N4O/c1-4-14-29(15-5-1)42-43(30-16-6-2-7-17-30)48-46-44(47-42)36-25-24-32(28-40(36)51-46)49-38-23-13-11-21-35(38)41-39(49)27-26-34-33-20-10-12-22-37(33)50(45(34)41)31-18-8-3-9-19-31/h1-28H
InChIKeyUBWBJZLNPKATJF-UHFFFAOYSA-N
XLogP11.90
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine with MolForge

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Related Compounds

4-phenyl-2-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333838
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
4,5-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-oxazole
CID 118300800
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine (CID 134351392) is 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine is c1ccc(-c2nc3oc4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)ccc4c3nc2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is UBWBJZLNPKATJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-4-14-29(15-5-1)42-43(30-16-6-2-7-17-30)48-46-44(47-42)36-25-24-32(28-40(36)51-46)49-38-23-13-11-21-35(38)41-39(49)27-26-34-33-20-10-12-22-37(33)50(45(34)41)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 652.76 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-7-(12-phenylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 134351392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).