5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole

C48H28N2OS — CID 146532915

IUPAC5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6sc7c(-c8cccc9oc%10ccccc%10c89)cccc7c6c5)c4cc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)37-27-38-32-15-5-8-21-41(32)50(43(38)28-42(37)49)30-24-25-46-39(26-30)35-19-10-18-34(48(35)52-46)33-17-11-23-45-47(33)36-16-6-9-22-44(36)51-45/h1-28H
InChIKeyVAWPSSVCUSANAG-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole

5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 146532915) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID146532915
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6sc7c(-c8cccc9oc%10ccccc%10c89)cccc7c6c5)c4cc32)cc1
InChIInChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)37-27-38-32-15-5-8-21-41(32)50(43(38)28-42(37)49)30-24-25-46-39(26-30)35-19-10-18-34(48(35)52-46)33-17-11-23-45-47(33)36-16-6-9-22-44(36)51-45/h1-28H
InChIKeyVAWPSSVCUSANAG-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

3-carbazol-9-yl-9-(6-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 146533063
9-(6-dibenzofuran-1-yldibenzothiophen-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 146532916
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146533082
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 170688562
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]carbazole
CID 169011495
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 90348701
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
3-dibenzofuran-2-yl-9-[1-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-yl]carbazole
CID 163711686
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 146532915) is 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6sc7c(-c8cccc9oc%10ccccc%10c89)cccc7c6c5)c4cc32)cc1.
What is the InChIKey of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is VAWPSSVCUSANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2OS/c1-2-12-29(13-3-1)49-40-20-7-4-14-31(40)37-27-38-32-15-5-8-21-41(32)50(43(38)28-42(37)49)30-24-25-46-39(26-30)35-19-10-18-34(48(35)52-46)33-17-11-23-45-47(33)36-16-6-9-22-44(36)51-45/h1-28H.
What are the key properties of 5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
5-(6-dibenzofuran-1-yldibenzothiophen-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-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 146532915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).