(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane

C27H23NOS — CID 144782100

IUPAC(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
SMILESCS(C)(C)c1cccc2c1oc1cc(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C27H23NOS/c1-30(2,3)26-14-8-11-22-21-16-15-18(17-25(21)29-27(22)26)28-23-12-6-4-9-19(23)20-10-5-7-13-24(20)28/h4-17H,1-3H3
InChIKeySBTKRKWFXRJOBI-UHFFFAOYSA-N
MW409.55 g/mol
LogP7.74
Rot. Bonds2

About (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane

(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane (PubChem CID 144782100) has the molecular formula C27H23NOS and a molecular weight of 409.55 g/mol. Its IUPAC name is (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
PubChem CID144782100
Molecular FormulaC27H23NOS
Molecular Weight409.55 g/mol
Exact Mass409.15
IUPAC Name(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
SMILESCS(C)(C)c1cccc2c1oc1cc(-n3c4ccccc4c4ccccc43)ccc12
InChIInChI=1S/C27H23NOS/c1-30(2,3)26-14-8-11-22-21-16-15-18(17-25(21)29-27(22)26)28-23-12-6-4-9-19(23)20-10-5-7-13-24(20)28/h4-17H,1-3H3
InChIKeySBTKRKWFXRJOBI-UHFFFAOYSA-N
XLogP7.74
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane
CID 144782482
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
(6-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
CID 144782117
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
9-(16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147402
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
9-(17-carbazol-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)carbazole
CID 59147574
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075
9-(7-chlorodibenzofuran-3-yl)carbazole
CID 146507114
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725

Frequently Asked Questions

What is the IUPAC name of (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane (CID 144782100) is (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane is CS(C)(C)c1cccc2c1oc1cc(-n3c4ccccc4c4ccccc43)ccc12.
What is the InChIKey of (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane?
The InChIKey is SBTKRKWFXRJOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NOS/c1-30(2,3)26-14-8-11-22-21-16-15-18(17-25(21)29-27(22)26)28-23-12-6-4-9-19(23)20-10-5-7-13-24(20)28/h4-17H,1-3H3.
What are the key properties of (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane?
(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane has a molecular weight of 409.55 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 144782100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).