9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene

C72H53N5O5S5 — CID 162036428

IUPAC9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene
SMILESc1cc2[nH]ccc2[nH]1.c1cc2occc2[nH]1.c1cc2occc2o1.c1cc2sccc2[nH]1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H9N.C12H8O.C12H8S.C6H6N2.C6H5NO.C6H5NS.C6H4O2.C6H4OS.C6H4S2/c3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-6-2-4-8-5(1)6;2*1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-8,13H;2*1-8H;1-4,7-8H;2*1-4,7H;3*1-4H
InChIKeyYWSCLVLDRPANPO-UHFFFAOYSA-N
MW1228.58 g/mol
LogP23.93
Rot. Bonds

About 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene

9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene (PubChem CID 162036428) has the molecular formula C72H53N5O5S5 and a molecular weight of 1228.58 g/mol. Its IUPAC name is 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene.

Molecular Properties

Compound Name9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene
PubChem CID162036428
Molecular FormulaC72H53N5O5S5
Molecular Weight1228.58 g/mol
Exact Mass1227.27
IUPAC Name9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene
SMILESc1cc2[nH]ccc2[nH]1.c1cc2occc2[nH]1.c1cc2occc2o1.c1cc2sccc2[nH]1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C12H9N.C12H8O.C12H8S.C6H6N2.C6H5NO.C6H5NS.C6H4O2.C6H4OS.C6H4S2/c3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-6-2-4-8-5(1)6;2*1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-8,13H;2*1-8H;1-4,7-8H;2*1-4,7H;3*1-4H
InChIKeyYWSCLVLDRPANPO-UHFFFAOYSA-N
XLogP23.93
TPSA144.65 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.58
LogP ≤ 523.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene?
The IUPAC name of 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene (CID 162036428) is 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene.
What is the SMILES notation for 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene?
The canonical SMILES for 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene is c1cc2[nH]ccc2[nH]1.c1cc2occc2[nH]1.c1cc2occc2o1.c1cc2sccc2[nH]1.c1cc2sccc2o1.c1cc2sccc2s1.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene?
The InChIKey is YWSCLVLDRPANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C12H8O.C12H8S.C6H6N2.C6H5NO.C6H5NS.C6H4O2.C6H4OS.C6H4S2/c3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-6-2-4-8-5(1)6;2*1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6;1-3-7-5-2-4-8-6(1)5;1-3-7-6-2-4-8-5(1)6/h1-8,13H;2*1-8H;1-4,7-8H;2*1-4,7H;3*1-4H.
What are the key properties of 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene?
9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene has a molecular weight of 1228.58 g/mol, XLogP of 23.93, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;dibenzofuran;dibenzothiophene;1,4-dihydropyrrolo[3,2-b]pyrrole;furo[3,2-b]furan;4H-furo[3,2-b]pyrrole;thieno[3,2-b]furan;4H-thieno[3,2-b]pyrrole;thieno[3,2-b]thiophene is sourced from PubChem (CID 162036428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).