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

C53H32N2OS — CID 118154413

IUPAC5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)n3)c2)cc1
InChIInChI=1S/C53H32N2OS/c1-2-12-33(13-3-1)34-14-10-15-36(28-34)45-30-38(35-24-25-41-40-18-5-8-22-49(40)56-50(41)32-35)31-46(54-45)37-16-11-17-39(29-37)55-47-21-7-4-20-44(47)52-48(55)27-26-43-42-19-6-9-23-51(42)57-53(43)52/h1-32H
InChIKeyGEJIRNANPHCNHH-UHFFFAOYSA-N
MW744.92 g/mol
LogP15.11
Rot. Bonds5

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

5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 118154413) has the molecular formula C53H32N2OS and a molecular weight of 744.92 g/mol. Its IUPAC name is 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID118154413
Molecular FormulaC53H32N2OS
Molecular Weight744.92 g/mol
Exact Mass744.22
IUPAC Name5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)n3)c2)cc1
InChIInChI=1S/C53H32N2OS/c1-2-12-33(13-3-1)34-14-10-15-36(28-34)45-30-38(35-24-25-41-40-18-5-8-22-49(40)56-50(41)32-35)31-46(54-45)37-16-11-17-39(29-37)55-47-21-7-4-20-44(47)52-48(55)27-26-43-42-19-6-9-23-51(42)57-53(43)52/h1-32H
InChIKeyGEJIRNANPHCNHH-UHFFFAOYSA-N
XLogP15.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[2-dibenzothiophen-1-yl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154571
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
14-[3-(6-dibenzothiophen-2-yl-4-phenyl-2-pyridinyl)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
CID 118154562
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159569396
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
5-[3-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154538
3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768114
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 158301992
2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 157086149
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
5-(7-dibenzofuran-2-yldibenzothiophen-3-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170286844
9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)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
CID 169014621

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 118154413) is 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4cccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)n3)c2)cc1.
What is the InChIKey of 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is GEJIRNANPHCNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2OS/c1-2-12-33(13-3-1)34-14-10-15-36(28-34)45-30-38(35-24-25-41-40-18-5-8-22-49(40)56-50(41)32-35)31-46(54-45)37-16-11-17-39(29-37)55-47-21-7-4-20-44(47)52-48(55)27-26-43-42-19-6-9-23-51(42)57-53(43)52/h1-32H.
What are the key properties of 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 744.92 g/mol, XLogP of 15.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 118154413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).