9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole

C72H40N2O2S2 — CID 90089667

IUPAC9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccc6oc7ccccc7c6c5)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc12
InChIInChI=1S/C72H40N2O2S2/c1-5-19-65-49(11-1)59-39-45(27-33-67(59)75-65)73-61-29-23-41(35-55(61)57-37-43(25-31-63(57)73)47-15-9-17-53-51-13-3-7-21-69(51)77-71(47)53)42-24-30-62-56(36-42)58-38-44(48-16-10-18-54-52-14-4-8-22-70(52)78-72(48)54)26-32-64(58)74(62)46-28-34-68-60(40-46)50-12-2-6-20-66(50)76-68/h1-40H
InChIKeyBGWJDGAVRILJNM-UHFFFAOYSA-N
MW1029.26 g/mol
LogP21.42
Rot. Bonds5

About 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole

9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole (PubChem CID 90089667) has the molecular formula C72H40N2O2S2 and a molecular weight of 1029.26 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole
PubChem CID90089667
Molecular FormulaC72H40N2O2S2
Molecular Weight1029.26 g/mol
Exact Mass1028.25
IUPAC Name9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccc6oc7ccccc7c6c5)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc12
InChIInChI=1S/C72H40N2O2S2/c1-5-19-65-49(11-1)59-39-45(27-33-67(59)75-65)73-61-29-23-41(35-55(61)57-37-43(25-31-63(57)73)47-15-9-17-53-51-13-3-7-21-69(51)77-71(47)53)42-24-30-62-56(36-42)58-38-44(48-16-10-18-54-52-14-4-8-22-70(52)78-72(48)54)26-32-64(58)74(62)46-28-34-68-60(40-46)50-12-2-6-20-66(50)76-68/h1-40H
InChIKeyBGWJDGAVRILJNM-UHFFFAOYSA-N
XLogP21.42
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.26
LogP ≤ 521.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole (CID 90089667) is 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole is c1ccc2c(c1)oc1ccc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7cccc8c7sc7ccccc78)ccc5n6-c5ccc6oc7ccccc7c6c5)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc12.
What is the InChIKey of 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole?
The InChIKey is BGWJDGAVRILJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H40N2O2S2/c1-5-19-65-49(11-1)59-39-45(27-33-67(59)75-65)73-61-29-23-41(35-55(61)57-37-43(25-31-63(57)73)47-15-9-17-53-51-13-3-7-21-69(51)77-71(47)53)42-24-30-62-56(36-42)58-38-44(48-16-10-18-54-52-14-4-8-22-70(52)78-72(48)54)26-32-64(58)74(62)46-28-34-68-60(40-46)50-12-2-6-20-66(50)76-68/h1-40H.
What are the key properties of 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole?
9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole has a molecular weight of 1029.26 g/mol, XLogP of 21.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-(9-dibenzofuran-2-yl-6-dibenzothiophen-4-ylcarbazol-3-yl)-6-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 90089667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).