5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole

C53H33N3O — CID 118154104

IUPAC5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-15-34(16-4-1)35-17-13-18-36(31-35)45-32-38(33-46(54-45)43-25-14-24-42-40-22-9-12-28-50(40)57-53(42)43)55-48-27-11-8-23-44(48)51-49(55)30-29-41-39-21-7-10-26-47(39)56(52(41)51)37-19-5-2-6-20-37/h1-33H
InChIKeyUBEYFIFOIGOWLH-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.18
Rot. Bonds5

About 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole

5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 118154104) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID118154104
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-15-34(16-4-1)35-17-13-18-36(31-35)45-32-38(33-46(54-45)43-25-14-24-42-40-22-9-12-28-50(40)57-53(42)43)55-48-27-11-8-23-44(48)51-49(55)30-29-41-39-21-7-10-26-47(39)56(52(41)51)37-19-5-2-6-20-37/h1-33H
InChIKeyUBEYFIFOIGOWLH-UHFFFAOYSA-N
XLogP14.18
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole;9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]carbazole;1-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-9-phenylcarbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 161401255
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 157316806
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158667209
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168986
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
11-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 161108406
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
12-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168896

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole (CID 118154104) is 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)cc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is UBEYFIFOIGOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-15-34(16-4-1)35-17-13-18-36(31-35)45-32-38(33-46(54-45)43-25-14-24-42-40-22-9-12-28-50(40)57-53(42)43)55-48-27-11-8-23-44(48)51-49(55)30-29-41-39-21-7-10-26-47(39)56(52(41)51)37-19-5-2-6-20-37/h1-33H.
What are the key properties of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 727.87 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118154104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).