3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole

C90H55N3OS2 — CID 88985744

IUPAC3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccccc23)C2Sc3c(-c4ccccc4-c4cccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)cccc3C2C(c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C90H55N3OS2/c1-2-21-56(22-3-1)91-79-39-15-10-29-65(79)74-51-54(43-48-81(74)91)58-23-4-5-24-60(58)68-47-46-59(55-44-49-82-75(52-55)66-30-11-16-40-80(66)93(82)83-41-20-35-72-67-31-12-17-42-85(67)95-89(72)83)90-86(68)73-36-19-34-71(88(73)96-90)62-26-7-6-25-61(62)69-32-18-33-70-76-53-57(45-50-84(76)94-87(69)70)92-77-37-13-8-27-63(77)64-28-9-14-38-78(64)92/h1-53,86,90H
InChIKeyCTNBIXPMFPIPEZ-UHFFFAOYSA-N
MW1258.58 g/mol
LogP24.98
Rot. Bonds8

About 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole

3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole (PubChem CID 88985744) has the molecular formula C90H55N3OS2 and a molecular weight of 1258.58 g/mol. Its IUPAC name is 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
PubChem CID88985744
Molecular FormulaC90H55N3OS2
Molecular Weight1258.58 g/mol
Exact Mass1257.38
IUPAC Name3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
SMILESC1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccccc23)C2Sc3c(-c4ccccc4-c4cccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)cccc3C2C(c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C90H55N3OS2/c1-2-21-56(22-3-1)91-79-39-15-10-29-65(79)74-51-54(43-48-81(74)91)58-23-4-5-24-60(58)68-47-46-59(55-44-49-82-75(52-55)66-30-11-16-40-80(66)93(82)83-41-20-35-72-67-31-12-17-42-85(67)95-89(72)83)90-86(68)73-36-19-34-71(88(73)96-90)62-26-7-6-25-61(62)69-32-18-33-70-76-53-57(45-50-84(76)94-87(69)70)92-77-37-13-8-27-63(77)64-28-9-14-38-78(64)92/h1-53,86,90H
InChIKeyCTNBIXPMFPIPEZ-UHFFFAOYSA-N
XLogP24.98
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001258.58
LogP ≤ 524.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
CID 158556744
5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
3-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenylcarbazole;3-(8-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]carbazole;3-[3,5-di(dibenzofuran-2-yl)phenyl]-9-phenylcarbazole;molecular fluorine;3-phenyl-9-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-4-yl]carbazole;hydrofluoride
CID 158528143
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161380088
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
9-[8-carbazol-9-yl-2-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-4-yl]-3-dibenzofuran-4-ylcarbazole;3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-2-ylcarbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-4-ylcarbazole
CID 160860394
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole (CID 88985744) is 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole is C1=C(c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccccc23)C2Sc3c(-c4ccccc4-c4cccc5c4oc4ccc(-n6c7ccccc7c7ccccc76)cc45)cccc3C2C(c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.
What is the InChIKey of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
The InChIKey is CTNBIXPMFPIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H55N3OS2/c1-2-21-56(22-3-1)91-79-39-15-10-29-65(79)74-51-54(43-48-81(74)91)58-23-4-5-24-60(58)68-47-46-59(55-44-49-82-75(52-55)66-30-11-16-40-80(66)93(82)83-41-20-35-72-67-31-12-17-42-85(67)95-89(72)83)90-86(68)73-36-19-34-71(88(73)96-90)62-26-7-6-25-61(62)69-32-18-33-70-76-53-57(45-50-84(76)94-87(69)70)92-77-37-13-8-27-63(77)64-28-9-14-38-78(64)92/h1-53,86,90H.
What are the key properties of 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole?
3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole has a molecular weight of 1258.58 g/mol, XLogP of 24.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-4-(9-dibenzothiophen-4-ylcarbazol-3-yl)-4a,9b-dihydrodibenzothiophen-1-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 88985744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).