5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole

C48H28N2OS — CID 146533502

IUPAC5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6oc7c(-c8cccc9c8sc8ccccc89)cccc7c6c5)c4cc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-41-21-7-4-14-31(41)38-27-39-32-15-5-8-22-42(32)50(44(39)28-43(38)49)30-24-25-45-40(26-30)35-18-10-17-34(47(35)51-45)37-20-11-19-36-33-16-6-9-23-46(33)52-48(36)37/h1-28H
InChIKeyFRBJEVYWWPJUDO-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole

5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 146533502) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID146533502
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6oc7c(-c8cccc9c8sc8ccccc89)cccc7c6c5)c4cc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-41-21-7-4-14-31(41)38-27-39-32-15-5-8-22-42(32)50(44(39)28-43(38)49)30-24-25-45-40(26-30)35-18-10-17-34(47(35)51-45)37-20-11-19-36-33-16-6-9-23-46(33)52-48(36)37/h1-28H
InChIKeyFRBJEVYWWPJUDO-UHFFFAOYSA-N
XLogP13.82
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.83
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 90348701
7-(6-dibenzothiophen-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
CID 158556744
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
9-dibenzofuran-4-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-ylphenyl)-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;5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole
CID 160649083

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 146533502) is 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6oc7c(-c8cccc9c8sc8ccccc89)cccc7c6c5)c4cc32)cc1.
What is the InChIKey of 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is FRBJEVYWWPJUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-41-21-7-4-14-31(41)38-27-39-32-15-5-8-22-42(32)50(44(39)28-43(38)49)30-24-25-45-40(26-30)35-18-10-17-34(47(35)51-45)37-20-11-19-36-33-16-6-9-23-46(33)52-48(36)37/h1-28H.
What are the key properties of 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole?
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 680.83 g/mol, XLogP of 13.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 146533502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).