9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

C54H33N3O — CID 134223371

IUPAC9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)ccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-28-25-34(30-45(47)53-48(55)29-27-42-39-20-10-12-22-46(39)57(54(42)53)38-18-8-3-9-19-38)35-24-26-40-43-33-52-44(41-21-11-13-23-51(41)58-52)32-50(43)56(49(40)31-35)37-16-6-2-7-17-37/h1-33H
InChIKeyBKCSURJKYHTVOK-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 134223371) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID134223371
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)ccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-28-25-34(30-45(47)53-48(55)29-27-42-39-20-10-12-22-46(39)57(54(42)53)38-18-8-3-9-19-38)35-24-26-40-43-33-52-44(41-21-11-13-23-51(41)58-52)32-50(43)56(49(40)31-35)37-16-6-2-7-17-37/h1-33H
InChIKeyBKCSURJKYHTVOK-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 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 134223371) is 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)c4c(ccc6c7ccccc7n(-c7ccccc7)c64)n5-c4ccccc4)ccc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is BKCSURJKYHTVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-28-25-34(30-45(47)53-48(55)29-27-42-39-20-10-12-22-46(39)57(54(42)53)38-18-8-3-9-19-38)35-24-26-40-43-33-52-44(41-21-11-13-23-51(41)58-52)32-50(43)56(49(40)31-35)37-16-6-2-7-17-37/h1-33H.
What are the key properties of 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole?
9-(5,12-diphenylindolo[3,2-c]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 9-(5,12-diphenylindolo[3,2-c]carbazol-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 134223371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).