4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile

C91H51N5S3 — CID 126729166

IUPAC4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cccc%10sc%11ccccc%11c9%10)ccc87)c7c6sc6ccccc67)ccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C91H51N5S3/c92-52-53-31-38-59(39-32-53)93-73-22-7-1-15-61(73)68-47-54(33-41-76(68)93)57-36-44-79-71(50-57)72-51-58(37-45-80(72)96(79)83-26-13-21-65-64-18-4-10-27-84(64)98-90(65)83)60-40-46-82(89-67-20-6-12-29-86(67)99-91(60)89)95-75-24-9-3-17-63(75)70-49-56(35-43-78(70)95)55-34-42-77-69(48-55)62-16-2-8-23-74(62)94(77)81-25-14-30-87-88(81)66-19-5-11-28-85(66)97-87/h1-51H
InChIKeyWWBQJWSVKPVSEO-UHFFFAOYSA-N
MW1310.64 g/mol
LogP26.05
Rot. Bonds7

About 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile

4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile (PubChem CID 126729166) has the molecular formula C91H51N5S3 and a molecular weight of 1310.64 g/mol. Its IUPAC name is 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
PubChem CID126729166
Molecular FormulaC91H51N5S3
Molecular Weight1310.64 g/mol
Exact Mass1309.33
IUPAC Name4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cccc%10sc%11ccccc%11c9%10)ccc87)c7c6sc6ccccc67)ccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C91H51N5S3/c92-52-53-31-38-59(39-32-53)93-73-22-7-1-15-61(73)68-47-54(33-41-76(68)93)57-36-44-79-71(50-57)72-51-58(37-45-80(72)96(79)83-26-13-21-65-64-18-4-10-27-84(64)98-90(65)83)60-40-46-82(89-67-20-6-12-29-86(67)99-91(60)89)95-75-24-9-3-17-63(75)70-49-56(35-43-78(70)95)55-34-42-77-69(48-55)62-16-2-8-23-74(62)94(77)81-25-14-30-87-88(81)66-19-5-11-28-85(66)97-87/h1-51H
InChIKeyWWBQJWSVKPVSEO-UHFFFAOYSA-N
XLogP26.05
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001310.64
LogP ≤ 526.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160765349
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
CID 176854301
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-carbazol-9-yl-4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)benzonitrile
CID 126577608
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile (CID 126729166) is 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cccc%10sc%11ccccc%11c9%10)ccc87)c7c6sc6ccccc67)ccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.
What is the InChIKey of 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The InChIKey is WWBQJWSVKPVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H51N5S3/c92-52-53-31-38-59(39-32-53)93-73-22-7-1-15-61(73)68-47-54(33-41-76(68)93)57-36-44-79-71(50-57)72-51-58(37-45-80(72)96(79)83-26-13-21-65-64-18-4-10-27-84(64)98-90(65)83)60-40-46-82(89-67-20-6-12-29-86(67)99-91(60)89)95-75-24-9-3-17-63(75)70-49-56(35-43-78(70)95)55-34-42-77-69(48-55)62-16-2-8-23-74(62)94(77)81-25-14-30-87-88(81)66-19-5-11-28-85(66)97-87/h1-51H.
What are the key properties of 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile has a molecular weight of 1310.64 g/mol, XLogP of 26.05, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-dibenzothiophen-4-yl-6-[1-[3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophen-4-yl]carbazol-3-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 126729166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).