5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole

C42H24N2S2 — CID 170393793

IUPAC5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6sc7ccccc7c6c5)c43)ccc12
InChIInChI=1S/C42H24N2S2/c1-5-13-34-27(9-1)31-20-21-36-41(42(31)44(34)26-17-19-30-28-10-3-7-15-37(28)46-40(30)24-26)32-12-2-6-14-35(32)43(36)25-18-22-39-33(23-25)29-11-4-8-16-38(29)45-39/h1-24H
InChIKeyJPNZLOJCMMOBLI-UHFFFAOYSA-N
MW620.80 g/mol
LogP12.62
Rot. Bonds2

About 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole

5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole (PubChem CID 170393793) has the molecular formula C42H24N2S2 and a molecular weight of 620.80 g/mol. Its IUPAC name is 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
PubChem CID170393793
Molecular FormulaC42H24N2S2
Molecular Weight620.80 g/mol
Exact Mass620.14
IUPAC Name5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6sc7ccccc7c6c5)c43)ccc12
InChIInChI=1S/C42H24N2S2/c1-5-13-34-27(9-1)31-20-21-36-41(42(31)44(34)26-17-19-30-28-10-3-7-15-37(28)46-40(30)24-26)32-12-2-6-14-35(32)43(36)25-18-22-39-33(23-25)29-11-4-8-16-38(29)45-39/h1-24H
InChIKeyJPNZLOJCMMOBLI-UHFFFAOYSA-N
XLogP12.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414705
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
9-dibenzothiophen-3-yl-18-(4-iodophenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146775593
12-(8-dibenzofuran-3-yldibenzothiophen-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 170286797
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
12-phenyl-5-[3-[8-[8-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]indolo[3,2-c]carbazole
CID 118041194
3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159838737
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
9-dibenzothiophen-3-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501158

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole?
The IUPAC name of 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole (CID 170393793) is 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole?
The canonical SMILES for 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole is c1ccc2c(c1)sc1cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6sc7ccccc7c6c5)c43)ccc12.
What is the InChIKey of 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole?
The InChIKey is JPNZLOJCMMOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N2S2/c1-5-13-34-27(9-1)31-20-21-36-41(42(31)44(34)26-17-19-30-28-10-3-7-15-37(28)46-40(30)24-26)32-12-2-6-14-35(32)43(36)25-18-22-39-33(23-25)29-11-4-8-16-38(29)45-39/h1-24H.
What are the key properties of 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole?
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole has a molecular weight of 620.80 g/mol, XLogP of 12.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 170393793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).