11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole

C47H28N2O2 — CID 118154044

IUPAC11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)cc2)cc1
InChIInChI=1S/C47H28N2O2/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)32-25-40(37-17-10-16-36-34-14-5-9-20-44(34)51-47(36)37)48-46(26-32)49-41-18-7-4-13-33(41)38-28-45-39(27-42(38)49)35-15-6-8-19-43(35)50-45/h1-28H
InChIKeyYZJPNPURIAKHHD-UHFFFAOYSA-N
MW652.75 g/mol
LogP12.98
Rot. Bonds4

About 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole

11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 118154044) has the molecular formula C47H28N2O2 and a molecular weight of 652.75 g/mol. Its IUPAC name is 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID118154044
Molecular FormulaC47H28N2O2
Molecular Weight652.75 g/mol
Exact Mass652.22
IUPAC Name11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)cc2)cc1
InChIInChI=1S/C47H28N2O2/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)32-25-40(37-17-10-16-36-34-14-5-9-20-44(34)51-47(36)37)48-46(26-32)49-41-18-7-4-13-33(41)38-28-45-39(27-42(38)49)35-15-6-8-19-43(35)50-45/h1-28H
InChIKeyYZJPNPURIAKHHD-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

11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118508812
11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158593172
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118502539
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
5-[6-dibenzothiophen-1-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154672
9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole
CID 162479952
4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163421950
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163452922
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
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283

Frequently Asked Questions

What is the IUPAC name of 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole (CID 118154044) is 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)cc2)cc1.
What is the InChIKey of 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is YZJPNPURIAKHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2O2/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)32-25-40(37-17-10-16-36-34-14-5-9-20-44(34)51-47(36)37)48-46(26-32)49-41-18-7-4-13-33(41)38-28-45-39(27-42(38)49)35-15-6-8-19-43(35)50-45/h1-28H.
What are the key properties of 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]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 11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 118154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).