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

C96H56N4O3S — CID 87766444

IUPAC3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6cccc7c6sc6ccccc67)cc6c5oc5ccc(-n7c8ccccc8c8cc(-c9cccc%10c9oc9ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc9%10)ccc87)cc56)cccc4c3c2)CC1
InChIInChI=1S/C96H56N4O3S/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/h1-3,5-20,22-54H,4,21H2
InChIKeyBXCOFCHISGVCDZ-UHFFFAOYSA-N
MW1345.60 g/mol
LogP26.95
Rot. Bonds7

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

3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole (PubChem CID 87766444) has the molecular formula C96H56N4O3S and a molecular weight of 1345.60 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
PubChem CID87766444
Molecular FormulaC96H56N4O3S
Molecular Weight1345.60 g/mol
Exact Mass1344.41
IUPAC Name3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6cccc7c6sc6ccccc67)cc6c5oc5ccc(-n7c8ccccc8c8cc(-c9cccc%10c9oc9ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc9%10)ccc87)cc56)cccc4c3c2)CC1
InChIInChI=1S/C96H56N4O3S/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/h1-3,5-20,22-54H,4,21H2
InChIKeyBXCOFCHISGVCDZ-UHFFFAOYSA-N
XLogP26.95
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001345.60
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-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-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole (CID 87766444) is 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole is C1=Cc2c(c3ccccc3n2-c2ccc3oc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6cccc7c6sc6ccccc67)cc6c5oc5ccc(-n7c8ccccc8c8cc(-c9cccc%10c9oc9ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc9%10)ccc87)cc56)cccc4c3c2)CC1.
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is BXCOFCHISGVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H56N4O3S/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/h1-3,5-20,22-54H,4,21H2.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole?
3-(8-carbazol-9-yldibenzofuran-4-yl)-9-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 1345.60 g/mol, XLogP of 26.95, 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-[8-dibenzothiophen-4-yl-6-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]carbazol-9-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 87766444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).