9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole

C34H20N2OS — CID 126749665

IUPAC9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3occc3c2c1
InChIInChI=1S/C34H20N2OS/c1-4-10-29-23(7-1)24-8-2-5-11-30(24)35(29)21-13-15-32-27(19-21)25-9-3-6-12-31(25)36(32)22-14-16-33-28(20-22)26-17-18-37-34(26)38-33/h1-20H
InChIKeyBGJXBAXIAHVICX-UHFFFAOYSA-N
MW504.61 g/mol
LogP9.84
Rot. Bonds2

About 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole

9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole (PubChem CID 126749665) has the molecular formula C34H20N2OS and a molecular weight of 504.61 g/mol. Its IUPAC name is 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole
PubChem CID126749665
Molecular FormulaC34H20N2OS
Molecular Weight504.61 g/mol
Exact Mass504.13
IUPAC Name9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3occc3c2c1
InChIInChI=1S/C34H20N2OS/c1-4-10-29-23(7-1)24-8-2-5-11-30(24)35(29)21-13-15-32-27(19-21)25-9-3-6-12-31(25)36(32)22-14-16-33-28(20-22)26-17-18-37-34(26)38-33/h1-20H
InChIKeyBGJXBAXIAHVICX-UHFFFAOYSA-N
XLogP9.84
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole (CID 126749665) is 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3occc3c2c1.
What is the InChIKey of 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole?
The InChIKey is BGJXBAXIAHVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2OS/c1-4-10-29-23(7-1)24-8-2-5-11-30(24)35(29)21-13-15-32-27(19-21)25-9-3-6-12-31(25)36(32)22-14-16-33-28(20-22)26-17-18-37-34(26)38-33/h1-20H.
What are the key properties of 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole?
9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole has a molecular weight of 504.61 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-([1]benzothiolo[2,3-b]furan-7-yl)-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 126749665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).