3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

C54H33N3O — CID 134223338

IUPAC3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-48-30-25-35(33-45(48)51-49(55)31-28-41-39-20-10-12-22-46(39)56(52(41)51)37-16-6-2-7-17-37)34-24-29-47-44(32-34)42-26-27-43-40-21-11-13-23-50(40)58-54(43)53(42)57(47)38-18-8-3-9-19-38/h1-33H
InChIKeyAXCGZHPRVBHLBK-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 134223338) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID134223338
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-48-30-25-35(33-45(48)51-49(55)31-28-41-39-20-10-12-22-46(39)56(52(41)51)37-16-6-2-7-17-37)34-24-29-47-44(32-34)42-26-27-43-40-21-11-13-23-50(40)58-54(43)53(42)57(47)38-18-8-3-9-19-38/h1-33H
InChIKeyAXCGZHPRVBHLBK-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 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 134223338) is 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is AXCGZHPRVBHLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-48-30-25-35(33-45(48)51-49(55)31-28-41-39-20-10-12-22-46(39)56(52(41)51)37-16-6-2-7-17-37)34-24-29-47-44(32-34)42-26-27-43-40-21-11-13-23-50(40)58-54(43)53(42)57(47)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]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 3-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 134223338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).