2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole

C54H32N4O — CID 59147082

IUPAC2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5[nH]c6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc43)cc12
InChIInChI=1S/C54H32N4O/c1-6-16-47-35(11-1)36-12-2-7-17-48(36)56(47)32-21-24-45-40(27-32)41-31-52-43(30-46(41)55-45)42-28-33(57-49-18-8-3-13-37(49)38-14-4-9-19-50(38)57)22-25-51(42)58(52)34-23-26-54-44(29-34)39-15-5-10-20-53(39)59-54/h1-31,55H
InChIKeyNBZSDZDRYMORCX-UHFFFAOYSA-N
MW752.88 g/mol
LogP14.51
Rot. Bonds3

About 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole

2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole (PubChem CID 59147082) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole.

Molecular Properties

Compound Name2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole
PubChem CID59147082
Molecular FormulaC54H32N4O
Molecular Weight752.88 g/mol
Exact Mass752.26
IUPAC Name2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5[nH]c6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc43)cc12
InChIInChI=1S/C54H32N4O/c1-6-16-47-35(11-1)36-12-2-7-17-48(36)56(47)32-21-24-45-40(27-32)41-31-52-43(30-46(41)55-45)42-28-33(57-49-18-8-3-13-37(49)38-14-4-9-19-50(38)57)22-25-51(42)58(52)34-23-26-54-44(29-34)39-15-5-10-20-53(39)59-54/h1-31,55H
InChIKeyNBZSDZDRYMORCX-UHFFFAOYSA-N
XLogP14.51
TPSA43.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 514.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole?
The IUPAC name of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole (CID 59147082) is 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole.
What is the SMILES notation for 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole?
The canonical SMILES for 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole is c1ccc2c(c1)oc1ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc5[nH]c6ccc(-n7c8ccccc8c8ccccc87)cc6c5cc43)cc12.
What is the InChIKey of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole?
The InChIKey is NBZSDZDRYMORCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-6-16-47-35(11-1)36-12-2-7-17-48(36)56(47)32-21-24-45-40(27-32)41-31-52-43(30-46(41)55-45)42-28-33(57-49-18-8-3-13-37(49)38-14-4-9-19-50(38)57)22-25-51(42)58(52)34-23-26-54-44(29-34)39-15-5-10-20-53(39)59-54/h1-31,55H.
What are the key properties of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole?
2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole has a molecular weight of 752.88 g/mol, XLogP of 14.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11H-indolo[3,2-b]carbazole is sourced from PubChem (CID 59147082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).