9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole

C84H48N2O2S2 — CID 58059072

IUPAC9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-c5cc(-c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)cc(-n7c8ccccc8c8ccccc87)c6)cc(-n6c7ccccc7c7ccccc76)c5)cc34)cccc12
InChIInChI=1S/C84H48N2O2S2/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70/h1-48H
InChIKeyLWSIYEFBRGGJMS-UHFFFAOYSA-N
MW1181.45 g/mol
LogP24.75
Rot. Bonds7

About 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole

9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole (PubChem CID 58059072) has the molecular formula C84H48N2O2S2 and a molecular weight of 1181.45 g/mol. Its IUPAC name is 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole
PubChem CID58059072
Molecular FormulaC84H48N2O2S2
Molecular Weight1181.45 g/mol
Exact Mass1180.32
IUPAC Name9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-c5cc(-c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)cc(-n7c8ccccc8c8ccccc87)c6)cc(-n6c7ccccc7c7ccccc76)c5)cc34)cccc12
InChIInChI=1S/C84H48N2O2S2/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70/h1-48H
InChIKeyLWSIYEFBRGGJMS-UHFFFAOYSA-N
XLogP24.75
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.45
LogP ≤ 524.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole (CID 58059072) is 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole is c1ccc2c(c1)sc1c(-c3cccc4c3oc3ccc(-c5cc(-c6cc(-c7ccc8oc9c(-c%10cccc%11c%10sc%10ccccc%10%11)cccc9c8c7)cc(-n7c8ccccc8c8ccccc87)c6)cc(-n6c7ccccc7c7ccccc76)c5)cc34)cccc12.
What is the InChIKey of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole?
The InChIKey is LWSIYEFBRGGJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N2O2S2/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70/h1-48H.
What are the key properties of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole?
9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole has a molecular weight of 1181.45 g/mol, XLogP of 24.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)phenyl]carbazole is sourced from PubChem (CID 58059072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).