pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane

C37H23F5N2OS — CID 134337726

IUPACpentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(S(F)(F)(F)(F)F)ccc54)cc3c2c1
InChIInChI=1S/C37H23F5N2OS/c1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)43(34)23-11-16-36-30(19-23)31-20-24(12-17-37(31)45-36)44-33-9-5-3-7-27(33)29-21-25(13-15-35(29)44)46(38,39,40,41)42/h2-21H,1H3
InChIKeyJWNIHHZIYUGUDF-UHFFFAOYSA-N
MW638.66 g/mol
LogP12.75
Rot. Bonds3

About pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane

pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane (PubChem CID 134337726) has the molecular formula C37H23F5N2OS and a molecular weight of 638.66 g/mol. Its IUPAC name is pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane
PubChem CID134337726
Molecular FormulaC37H23F5N2OS
Molecular Weight638.66 g/mol
Exact Mass638.15
IUPAC Namepentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(S(F)(F)(F)(F)F)ccc54)cc3c2c1
InChIInChI=1S/C37H23F5N2OS/c1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)43(34)23-11-16-36-30(19-23)31-20-24(12-17-37(31)45-36)44-33-9-5-3-7-27(33)29-21-25(13-15-35(29)44)46(38,39,40,41)42/h2-21H,1H3
InChIKeyJWNIHHZIYUGUDF-UHFFFAOYSA-N
XLogP12.75
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.66
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane?
The IUPAC name of pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane (CID 134337726) is pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5cc(S(F)(F)(F)(F)F)ccc54)cc3c2c1.
What is the InChIKey of pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane?
The InChIKey is JWNIHHZIYUGUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F5N2OS/c1-22-10-14-34-28(18-22)26-6-2-4-8-32(26)43(34)23-11-16-36-30(19-23)31-20-24(12-17-37(31)45-36)44-33-9-5-3-7-27(33)29-21-25(13-15-35(29)44)46(38,39,40,41)42/h2-21H,1H3.
What are the key properties of pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane?
pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane has a molecular weight of 638.66 g/mol, XLogP of 12.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-λ6-sulfane is sourced from PubChem (CID 134337726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).