3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole

C57H35N3O — CID 138475094

IUPAC3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C57H35N3O/c1-3-14-36(15-4-1)45-35-56(58-49-22-10-7-18-42(45)49)60-51-24-12-9-20-44(51)47-34-39(27-30-53(47)60)41-21-13-25-55-57(41)48-33-38(28-31-54(48)61-55)37-26-29-52-46(32-37)43-19-8-11-23-50(43)59(52)40-16-5-2-6-17-40/h1-35H
InChIKeyLDXGVHQNNMUNSI-UHFFFAOYSA-N
MW777.93 g/mol
LogP15.33
Rot. Bonds5

About 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole

3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole (PubChem CID 138475094) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole.

Molecular Properties

Compound Name3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
PubChem CID138475094
Molecular FormulaC57H35N3O
Molecular Weight777.93 g/mol
Exact Mass777.28
IUPAC Name3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C57H35N3O/c1-3-14-36(15-4-1)45-35-56(58-49-22-10-7-18-42(45)49)60-51-24-12-9-20-44(51)47-34-39(27-30-53(47)60)41-21-13-25-55-57(41)48-33-38(28-31-54(48)61-55)37-26-29-52-46(32-37)43-19-8-11-23-50(43)59(52)40-16-5-2-6-17-40/h1-35H
InChIKeyLDXGVHQNNMUNSI-UHFFFAOYSA-N
XLogP15.33
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
3-[8-[9-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 159711280
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 134594958
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
9-phenyl-3-[9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767897

Frequently Asked Questions

What is the IUPAC name of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole?
The IUPAC name of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole (CID 138475094) is 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole.
What is the SMILES notation for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole?
The canonical SMILES for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole?
The InChIKey is LDXGVHQNNMUNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-3-14-36(15-4-1)45-35-56(58-49-22-10-7-18-42(45)49)60-51-24-12-9-20-44(51)47-34-39(27-30-53(47)60)41-21-13-25-55-57(41)48-33-38(28-31-54(48)61-55)37-26-29-52-46(32-37)43-19-8-11-23-50(43)59(52)40-16-5-2-6-17-40/h1-35H.
What are the key properties of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole?
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole has a molecular weight of 777.93 g/mol, XLogP of 15.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole is sourced from PubChem (CID 138475094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).