9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole

C85H54N2O2S2 — CID 147493193

IUPAC9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole
SMILESCC1CC(c2cc(C3=CC(n4c5ccccc5c5ccccc54)=CC(c4ccc5oc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)C3)cc(-n3c4ccccc4c4ccccc43)c2)=Cc2c1oc1c(-c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C85H54N2O2S2/c1-49-40-51(48-73-67-27-15-25-65(83(67)89-81(49)73)71-31-17-29-69-63-23-7-13-37-80(63)91-85(69)71)53-42-55(46-57(44-53)87-76-34-10-4-20-60(76)61-21-5-11-35-77(61)87)54-41-52(43-56(45-54)86-74-32-8-2-18-58(74)59-19-3-9-33-75(59)86)50-38-39-78-72(47-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-79(62)90-84(68)70/h2-39,42-49,52H,40-41H2,1H3
InChIKeyFFXZUJLWLORPMB-UHFFFAOYSA-N
MW1199.51 g/mol
LogP24.77
Rot. Bonds7

About 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole

9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole (PubChem CID 147493193) has the molecular formula C85H54N2O2S2 and a molecular weight of 1199.51 g/mol. Its IUPAC name is 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole
PubChem CID147493193
Molecular FormulaC85H54N2O2S2
Molecular Weight1199.51 g/mol
Exact Mass1198.36
IUPAC Name9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole
SMILESCC1CC(c2cc(C3=CC(n4c5ccccc5c5ccccc54)=CC(c4ccc5oc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)C3)cc(-n3c4ccccc4c4ccccc43)c2)=Cc2c1oc1c(-c3cccc4c3sc3ccccc34)cccc21
InChIInChI=1S/C85H54N2O2S2/c1-49-40-51(48-73-67-27-15-25-65(83(67)89-81(49)73)71-31-17-29-69-63-23-7-13-37-80(63)91-85(69)71)53-42-55(46-57(44-53)87-76-34-10-4-20-60(76)61-21-5-11-35-77(61)87)54-41-52(43-56(45-54)86-74-32-8-2-18-58(74)59-19-3-9-33-75(59)86)50-38-39-78-72(47-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-79(62)90-84(68)70/h2-39,42-49,52H,40-41H2,1H3
InChIKeyFFXZUJLWLORPMB-UHFFFAOYSA-N
XLogP24.77
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.51
LogP ≤ 524.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-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)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole (CID 147493193) is 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole is CC1CC(c2cc(C3=CC(n4c5ccccc5c5ccccc54)=CC(c4ccc5oc6c(-c7cccc8c7sc7ccccc78)cccc6c5c4)C3)cc(-n3c4ccccc4c4ccccc43)c2)=Cc2c1oc1c(-c3cccc4c3sc3ccccc34)cccc21.
What is the InChIKey of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole?
The InChIKey is FFXZUJLWLORPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54N2O2S2/c1-49-40-51(48-73-67-27-15-25-65(83(67)89-81(49)73)71-31-17-29-69-63-23-7-13-37-80(63)91-85(69)71)53-42-55(46-57(44-53)87-76-34-10-4-20-60(76)61-21-5-11-35-77(61)87)54-41-52(43-56(45-54)86-74-32-8-2-18-58(74)59-19-3-9-33-75(59)86)50-38-39-78-72(47-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-79(62)90-84(68)70/h2-39,42-49,52H,40-41H2,1H3.
What are the key properties of 9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole?
9-[3-[3-carbazol-9-yl-5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole has a molecular weight of 1199.51 g/mol, XLogP of 24.77, 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)cyclohexa-1,3-dien-1-yl]-5-(6-dibenzothiophen-4-yl-4-methyl-3,4-dihydrodibenzofuran-2-yl)phenyl]carbazole is sourced from PubChem (CID 147493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).