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

C47H28N2OS — CID 118154029

IUPAC5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)39-27-32(28-40(48-39)37-17-10-16-35-33-13-5-8-19-43(33)50-46(35)37)49-41-18-7-4-15-38(41)45-42(49)26-25-36-34-14-6-9-20-44(34)51-47(36)45/h1-28H
InChIKeyKTJFOODGALXUTR-UHFFFAOYSA-N
MW668.82 g/mol
LogP13.45
Rot. Bonds4

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

5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 118154029) has the molecular formula C47H28N2OS and a molecular weight of 668.82 g/mol. Its IUPAC name is 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID118154029
Molecular FormulaC47H28N2OS
Molecular Weight668.82 g/mol
Exact Mass668.19
IUPAC Name5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)39-27-32(28-40(48-39)37-17-10-16-35-33-13-5-8-19-43(33)50-46(35)37)49-41-18-7-4-15-38(41)45-42(49)26-25-36-34-14-6-9-20-44(34)51-47(36)45/h1-28H
InChIKeyKTJFOODGALXUTR-UHFFFAOYSA-N
XLogP13.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 513.45
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
11-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154031
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 159845664
14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159310143
5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154413
11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154269
5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 159116407
5-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 118154172
5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-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-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenyl]carbazole
CID 160601837
5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154375

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole (CID 118154029) is 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is KTJFOODGALXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)39-27-32(28-40(48-39)37-17-10-16-35-33-13-5-8-19-43(33)50-46(35)37)49-41-18-7-4-15-38(41)45-42(49)26-25-36-34-14-6-9-20-44(34)51-47(36)45/h1-28H.
What are the key properties of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole?
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 668.82 g/mol, XLogP of 13.45, 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-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 118154029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).