6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole

C48H30N2O — CID 170072359

IUPAC6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
SMILESc1ccc(-c2cccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-19-11-20-38-41-30-33(25-27-43(41)49(47(35)38)34-15-5-2-6-16-34)32-26-28-44-40(29-32)36-17-7-9-22-42(36)50(44)45-23-12-21-39-37-18-8-10-24-46(37)51-48(39)45/h1-30H
InChIKeyWBXLUPYMKIBNBE-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole

6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole (PubChem CID 170072359) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole.

Molecular Properties

Compound Name6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
PubChem CID170072359
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
SMILESc1ccc(-c2cccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-19-11-20-38-41-30-33(25-27-43(41)49(47(35)38)34-15-5-2-6-16-34)32-26-28-44-40(29-32)36-17-7-9-22-42(36)50(44)45-23-12-21-39-37-18-8-10-24-46(37)51-48(39)45/h1-30H
InChIKeyWBXLUPYMKIBNBE-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
12-(4-dibenzofuran-4-ylphenyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 90191500
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole?
The IUPAC name of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole (CID 170072359) is 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole.
What is the SMILES notation for 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole?
The canonical SMILES for 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole is c1ccc(-c2cccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole?
The InChIKey is WBXLUPYMKIBNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)35-19-11-20-38-41-30-33(25-27-43(41)49(47(35)38)34-15-5-2-6-16-34)32-26-28-44-40(29-32)36-17-7-9-22-42(36)50(44)45-23-12-21-39-37-18-8-10-24-46(37)51-48(39)45/h1-30H.
What are the key properties of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole?
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole is sourced from PubChem (CID 170072359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).