8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

C54H33N3O — CID 134223651

IUPAC8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-44-41-28-34(24-26-48(41)57(52(44)33-51(43)55)38-18-8-3-9-19-38)35-25-27-49-42(29-35)45-32-54-46(40-21-11-13-23-53(40)58-54)31-50(45)56(49)37-16-6-2-7-17-37/h1-33H
InChIKeyNTGFSQMNPSZNMC-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223651) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID134223651
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-44-41-28-34(24-26-48(41)57(52(44)33-51(43)55)38-18-8-3-9-19-38)35-25-27-49-42(29-35)45-32-54-46(40-21-11-13-23-53(40)58-54)31-50(45)56(49)37-16-6-2-7-17-37/h1-33H
InChIKeyNTGFSQMNPSZNMC-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

Analyze 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 129291104
CID 129291104
CID 129291269
CID 129291269
CID 163647614
CID 163647614
CID 134947530
CID 134947530
CID 134947553
CID 134947553
CID 59348257
CID 59348257
CID 91972134
CID 91972134
CID 101543939
CID 101543939
CID 102324620
CID 102324620
CID 118952247
CID 118952247
CID 121337025
CID 121337025
CID 129085125
CID 129085125

Frequently Asked Questions

What is the IUPAC name of 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 134223651) is 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c7ccccc7n(-c7ccccc7)c6cc4n5-c4ccccc4)cc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NTGFSQMNPSZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)43-30-44-41-28-34(24-26-48(41)57(52(44)33-51(43)55)38-18-8-3-9-19-38)35-25-27-49-42(29-35)45-32-54-46(40-21-11-13-23-53(40)58-54)31-50(45)56(49)37-16-6-2-7-17-37/h1-33H.
What are the key properties of 8-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
8-(5,7-diphenylindolo[2,3-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-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).