5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole

C48H28N2OS — CID 170688562

IUPAC5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6sc7cccc(-c8cccc9c8oc8ccccc89)c7c6c5)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)30-24-25-45-39(26-30)47-34(17-11-23-46(47)52-45)36-19-10-18-35-33-16-6-9-22-44(33)51-48(35)36/h1-28H
InChIKeyQMNBNQMWWCVBDH-UHFFFAOYSA-N
MW680.83 g/mol
LogP13.82
Rot. Bonds3

About 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole

5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 170688562) has the molecular formula C48H28N2OS and a molecular weight of 680.83 g/mol. Its IUPAC name is 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID170688562
Molecular FormulaC48H28N2OS
Molecular Weight680.83 g/mol
Exact Mass680.19
IUPAC Name5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6sc7cccc(-c8cccc9c8oc8ccccc89)c7c6c5)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)30-24-25-45-39(26-30)47-34(17-11-23-46(47)52-45)36-19-10-18-35-33-16-6-9-22-44(33)51-48(35)36/h1-28H
InChIKeyQMNBNQMWWCVBDH-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-1-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532996
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
11-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 146532997
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-9-phenylcarbazole;3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-9-phenylcarbazole;9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-3,6-diphenylcarbazole
CID 165089608
5-[3-dibenzofuran-4-yl-4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430956
9-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole
CID 165071579
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169010957

Frequently Asked Questions

What is the IUPAC name of 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 170688562) is 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6sc7cccc(-c8cccc9c8oc8ccccc89)c7c6c5)c4cc32)cc1.
What is the InChIKey of 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is QMNBNQMWWCVBDH-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)30-24-25-45-39(26-30)47-34(17-11-23-46(47)52-45)36-19-10-18-35-33-16-6-9-22-44(33)51-48(35)36/h1-28H.
What are the key properties of 5-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole?
5-(9-dibenzofuran-4-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-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 170688562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).