8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

C54H33N3O — CID 134223343

IUPAC8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)c4ccccc4n6-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-51-44(31-50(43)55)41-28-34(24-26-48(41)56(51)37-16-6-2-7-17-37)35-25-27-49-42(29-35)45-33-54-46(40-21-11-13-23-53(40)58-54)32-52(45)57(49)38-18-8-3-9-19-38/h1-33H
InChIKeyYGNUFSGJWGRJFY-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223343) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID134223343
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)c4ccccc4n6-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-51-44(31-50(43)55)41-28-34(24-26-48(41)56(51)37-16-6-2-7-17-37)35-25-27-49-42(29-35)45-33-54-46(40-21-11-13-23-53(40)58-54)32-52(45)57(49)38-18-8-3-9-19-38/h1-33H
InChIKeyYGNUFSGJWGRJFY-UHFFFAOYSA-N
XLogP14.54
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 134223343) is 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)c4ccccc4n6-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is YGNUFSGJWGRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-51-44(31-50(43)55)41-28-34(24-26-48(41)56(51)37-16-6-2-7-17-37)35-25-27-49-42(29-35)45-33-54-46(40-21-11-13-23-53(40)58-54)32-52(45)57(49)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).