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

C60H36N4O — CID 59147142

IUPAC2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N4O/c1-2-14-37(15-3-1)61-55-29-26-38(62-51-21-9-4-16-41(51)42-17-5-10-22-52(42)62)32-46(55)48-36-58-49(35-57(48)61)47-33-39(63-53-23-11-6-18-43(53)44-19-7-12-24-54(44)63)27-30-56(47)64(58)40-28-31-60-50(34-40)45-20-8-13-25-59(45)65-60/h1-36H
InChIKeyOMZQGBVCZLGTNL-UHFFFAOYSA-N
MW828.98 g/mol
LogP15.97
Rot. Bonds4

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

2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole (PubChem CID 59147142) has the molecular formula C60H36N4O and a molecular weight of 828.98 g/mol. Its IUPAC name is 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole
PubChem CID59147142
Molecular FormulaC60H36N4O
Molecular Weight828.98 g/mol
Exact Mass828.29
IUPAC Name2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H36N4O/c1-2-14-37(15-3-1)61-55-29-26-38(62-51-21-9-4-16-41(51)42-17-5-10-22-52(42)62)32-46(55)48-36-58-49(35-57(48)61)47-33-39(63-53-23-11-6-18-43(53)44-19-7-12-24-54(44)63)27-30-56(47)64(58)40-28-31-60-50(34-40)45-20-8-13-25-59(45)65-60/h1-36H
InChIKeyOMZQGBVCZLGTNL-UHFFFAOYSA-N
XLogP15.97
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.98
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole?
The IUPAC name of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole (CID 59147142) is 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2n4-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole?
The InChIKey is OMZQGBVCZLGTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N4O/c1-2-14-37(15-3-1)61-55-29-26-38(62-51-21-9-4-16-41(51)42-17-5-10-22-52(42)62)32-46(55)48-36-58-49(35-57(48)61)47-33-39(63-53-23-11-6-18-43(53)44-19-7-12-24-54(44)63)27-30-56(47)64(58)40-28-31-60-50(34-40)45-20-8-13-25-59(45)65-60/h1-36H.
What are the key properties of 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole?
2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole has a molecular weight of 828.98 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-di(carbazol-9-yl)-5-dibenzofuran-2-yl-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 59147142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).