5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole

C47H28N2O2 — CID 118154108

IUPAC5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C47H28N2O2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)39-27-32(28-40(48-39)37-20-11-19-35-33-16-5-8-22-43(33)50-46(35)37)49-41-21-7-4-18-38(41)45-42(49)25-24-36-34-17-6-9-23-44(34)51-47(36)45/h1-28H
InChIKeyVVOPPYDHFHHXHE-UHFFFAOYSA-N
MW652.75 g/mol
LogP12.98
Rot. Bonds4

About 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole

5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 118154108) has the molecular formula C47H28N2O2 and a molecular weight of 652.75 g/mol. Its IUPAC name is 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID118154108
Molecular FormulaC47H28N2O2
Molecular Weight652.75 g/mol
Exact Mass652.22
IUPAC Name5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C47H28N2O2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)39-27-32(28-40(48-39)37-20-11-19-35-33-16-5-8-22-43(33)50-46(35)37)49-41-21-7-4-18-38(41)45-42(49)25-24-36-34-17-6-9-23-44(34)51-47(36)45/h1-28H
InChIKeyVVOPPYDHFHHXHE-UHFFFAOYSA-N
XLogP12.98
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.75
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 118154104
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
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
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
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
11-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-(4-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;methane
CID 158075368
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208
5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118153947
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole (CID 118154108) is 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is VVOPPYDHFHHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2/c1-2-12-29(13-3-1)30-14-10-15-31(26-30)39-27-32(28-40(48-39)37-20-11-19-35-33-16-5-8-22-43(33)50-46(35)37)49-41-21-7-4-18-38(41)45-42(49)25-24-36-34-17-6-9-23-44(34)51-47(36)45/h1-28H.
What are the key properties of 5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 652.75 g/mol, XLogP of 12.98, 4 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]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 118154108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).