[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane

C56H42N2OS — CID 145345114

IUPAC[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
SMILESCC.c1ccc(S(c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C54H36N2OS.C2H6/c1-4-16-39(17-5-1)58(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-30-31-52-46(36-42)45-24-12-15-27-51(45)56(52)38-29-33-54-48(35-38)47-34-37(28-32-53(47)57-54)55-49-25-13-10-22-43(49)44-23-11-14-26-50(44)55;1-2/h1-36H;1-2H3
InChIKeyYVYKGRNRHORIRY-UHFFFAOYSA-N
MW791.03 g/mol
LogP16.15
Rot. Bonds6

About [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane

[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane (PubChem CID 145345114) has the molecular formula C56H42N2OS and a molecular weight of 791.03 g/mol. Its IUPAC name is [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane.

Molecular Properties

Compound Name[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
PubChem CID145345114
Molecular FormulaC56H42N2OS
Molecular Weight791.03 g/mol
Exact Mass790.30
IUPAC Name[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
SMILESCC.c1ccc(S(c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C54H36N2OS.C2H6/c1-4-16-39(17-5-1)58(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-30-31-52-46(36-42)45-24-12-15-27-51(45)56(52)38-29-33-54-48(35-38)47-34-37(28-32-53(47)57-54)55-49-25-13-10-22-43(49)44-23-11-14-26-50(44)55;1-2/h1-36H;1-2H3
InChIKeyYVYKGRNRHORIRY-UHFFFAOYSA-N
XLogP16.15
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.03
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
(8-carbazol-9-yldibenzofuran-4-yl)-triphenyl-λ4-sulfane;ethane
CID 144782482
[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane
CID 166588186
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
CID 155299501
triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
CID 138489099
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137

Frequently Asked Questions

What is the IUPAC name of [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane?
The IUPAC name of [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane (CID 145345114) is [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane.
What is the SMILES notation for [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane?
The canonical SMILES for [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane is CC.c1ccc(S(c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.
What is the InChIKey of [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane?
The InChIKey is YVYKGRNRHORIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2OS.C2H6/c1-4-16-39(17-5-1)58(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-30-31-52-46(36-42)45-24-12-15-27-51(45)56(52)38-29-33-54-48(35-38)47-34-37(28-32-53(47)57-54)55-49-25-13-10-22-43(49)44-23-11-14-26-50(44)55;1-2/h1-36H;1-2H3.
What are the key properties of [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane?
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane has a molecular weight of 791.03 g/mol, XLogP of 16.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane is sourced from PubChem (CID 145345114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).