(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane

C44H35NOS — CID 144782482

IUPAC(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane
SMILESCC.c1ccc(S(c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C42H29NOS.C2H6/c1-4-15-31(16-5-1)45(32-17-6-2-7-18-32,33-19-8-3-9-20-33)41-26-14-23-36-37-29-30(27-28-40(37)44-42(36)41)43-38-24-12-10-21-34(38)35-22-11-13-25-39(35)43;1-2/h1-29H;1-2H3
InChIKeyDASBPRCPBVXGHD-UHFFFAOYSA-N
MW625.84 g/mol
LogP13.05
Rot. Bonds5

About (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane

(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane (PubChem CID 144782482) has the molecular formula C44H35NOS and a molecular weight of 625.84 g/mol. Its IUPAC name is (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane.

Molecular Properties

Compound Name(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane
PubChem CID144782482
Molecular FormulaC44H35NOS
Molecular Weight625.84 g/mol
Exact Mass625.24
IUPAC Name(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane
SMILESCC.c1ccc(S(c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1
InChIInChI=1S/C42H29NOS.C2H6/c1-4-15-31(16-5-1)45(32-17-6-2-7-18-32,33-19-8-3-9-20-33)41-26-14-23-36-37-29-30(27-28-40(37)44-42(36)41)43-38-24-12-10-21-34(38)35-22-11-13-25-39(35)43;1-2/h1-29H;1-2H3
InChIKeyDASBPRCPBVXGHD-UHFFFAOYSA-N
XLogP13.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.84
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
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
(7-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
CID 144782100
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
9-(6-bromo-7-methyldibenzofuran-2-yl)carbazole
CID 163843393
9-(16-carbazol-9-yl-11,12-dimethyl-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 59147144
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
[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenyl-λ4-sulfane
CID 134259891
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
CID 155299501
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295

Frequently Asked Questions

What is the IUPAC name of (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane?
The IUPAC name of (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane (CID 144782482) is (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane.
What is the SMILES notation for (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane?
The canonical SMILES for (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane is CC.c1ccc(S(c2ccccc2)(c2ccccc2)c2cccc3c2oc2ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.
What is the InChIKey of (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane?
The InChIKey is DASBPRCPBVXGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NOS.C2H6/c1-4-15-31(16-5-1)45(32-17-6-2-7-18-32,33-19-8-3-9-20-33)41-26-14-23-36-37-29-30(27-28-40(37)44-42(36)41)43-38-24-12-10-21-34(38)35-22-11-13-25-39(35)43;1-2/h1-29H;1-2H3.
What are the key properties of (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane?
(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane has a molecular weight of 625.84 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane is sourced from PubChem (CID 144782482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).