3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole

C96H54N4O3S — CID 58099785

IUPAC3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccc(-n8c9ccccc9c9ccccc98)cc67)ccc54)c4oc5ccc(-n6c7ccccc7c7cc(-c8cccc9c8oc8ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc89)ccc76)cc5c4c3)cccc12
InChIInChI=1S/C96H54N4O3S/c1-8-31-80-64(18-1)65-19-2-9-32-81(65)97(80)58-40-45-89-76(52-58)71-28-15-25-61(93(71)101-89)55-38-43-86-74(48-55)68-22-5-12-35-84(68)99(86)60-42-47-91-78(54-60)79-50-57(63-27-17-30-73-70-24-7-14-37-92(70)104-96(63)73)51-88(95(79)103-91)100-85-36-13-6-23-69(85)75-49-56(39-44-87(75)100)62-26-16-29-72-77-53-59(41-46-90(77)102-94(62)72)98-82-33-10-3-20-66(82)67-21-4-11-34-83(67)98/h1-54H
InChIKeyIQUKRBUKFURDSV-UHFFFAOYSA-N
MW1343.58 g/mol
LogP27.14
Rot. Bonds7

About 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole

3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole (PubChem CID 58099785) has the molecular formula C96H54N4O3S and a molecular weight of 1343.58 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole
PubChem CID58099785
Molecular FormulaC96H54N4O3S
Molecular Weight1343.58 g/mol
Exact Mass1342.39
IUPAC Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole
SMILESc1ccc2c(c1)sc1c(-c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccc(-n8c9ccccc9c9ccccc98)cc67)ccc54)c4oc5ccc(-n6c7ccccc7c7cc(-c8cccc9c8oc8ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc89)ccc76)cc5c4c3)cccc12
InChIInChI=1S/C96H54N4O3S/c1-8-31-80-64(18-1)65-19-2-9-32-81(65)97(80)58-40-45-89-76(52-58)71-28-15-25-61(93(71)101-89)55-38-43-86-74(48-55)68-22-5-12-35-84(68)99(86)60-42-47-91-78(54-60)79-50-57(63-27-17-30-73-70-24-7-14-37-92(70)104-96(63)73)51-88(95(79)103-91)100-85-36-13-6-23-69(85)75-49-56(39-44-87(75)100)62-26-16-29-72-77-53-59(41-46-90(77)102-94(62)72)98-82-33-10-3-20-66(82)67-21-4-11-34-83(67)98/h1-54H
InChIKeyIQUKRBUKFURDSV-UHFFFAOYSA-N
XLogP27.14
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001343.58
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole (CID 58099785) is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole is c1ccc2c(c1)sc1c(-c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccc(-n8c9ccccc9c9ccccc98)cc67)ccc54)c4oc5ccc(-n6c7ccccc7c7cc(-c8cccc9c8oc8ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc89)ccc76)cc5c4c3)cccc12.
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole?
The InChIKey is IQUKRBUKFURDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N4O3S/c1-8-31-80-64(18-1)65-19-2-9-32-81(65)97(80)58-40-45-89-76(52-58)71-28-15-25-61(93(71)101-89)55-38-43-86-74(48-55)68-22-5-12-35-84(68)99(86)60-42-47-91-78(54-60)79-50-57(63-27-17-30-73-70-24-7-14-37-92(70)104-96(63)73)51-88(95(79)103-91)100-85-36-13-6-23-69(85)75-49-56(39-44-87(75)100)62-26-16-29-72-77-53-59(41-46-90(77)102-94(62)72)98-82-33-10-3-20-66(82)67-21-4-11-34-83(67)98/h1-54H.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole?
3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole has a molecular weight of 1343.58 g/mol, XLogP of 27.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[6-[3-(8-carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-dibenzothiophen-4-yldibenzofuran-2-yl]carbazole is sourced from PubChem (CID 58099785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).