2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile

C183H111N9S3 — CID 161033272

IUPAC2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc2sc3ccccc3c12.N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2sc3ccccc3c12.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2sc3ccccc3c12
InChIInChI=1S/3C61H37N3S/c62-38-47-37-57(63-53-29-25-43(39-15-5-1-6-16-39)33-49(53)50-34-44(26-30-54(50)63)40-17-7-2-8-18-40)60(61-59(47)48-23-13-14-24-58(48)65-61)64-55-31-27-45(41-19-9-3-10-20-41)35-51(55)52-36-46(28-32-56(52)64)42-21-11-4-12-22-42;62-38-52-60-47-23-13-14-24-58(47)65-59(60)37-57(63-53-29-25-43(39-15-5-1-6-16-39)33-48(53)49-34-44(26-30-54(49)63)40-17-7-2-8-18-40)61(52)64-55-31-27-45(41-19-9-3-10-20-41)35-50(55)51-36-46(28-32-56(51)64)42-21-11-4-12-22-42;62-38-52-57(63-53-29-25-43(39-15-5-1-6-16-39)33-48(53)49-34-44(26-30-54(49)63)40-17-7-2-8-18-40)37-58(61-60(52)47-23-13-14-24-59(47)65-61)64-55-31-27-45(41-19-9-3-10-20-41)35-50(55)51-36-46(28-32-56(51)64)42-21-11-4-12-22-42/h3*1-37H
InChIKeyTZXICGAFFBUQEA-UHFFFAOYSA-N
MW2532.16 g/mol
LogP50.37
Rot. Bonds18

About 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile

2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile (PubChem CID 161033272) has the molecular formula C183H111N9S3 and a molecular weight of 2532.16 g/mol. Its IUPAC name is 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile.

Molecular Properties

Compound Name2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile
PubChem CID161033272
Molecular FormulaC183H111N9S3
Molecular Weight2532.16 g/mol
Exact Mass2529.81
IUPAC Name2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc2sc3ccccc3c12.N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2sc3ccccc3c12.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2sc3ccccc3c12
InChIInChI=1S/3C61H37N3S/c62-38-47-37-57(63-53-29-25-43(39-15-5-1-6-16-39)33-49(53)50-34-44(26-30-54(50)63)40-17-7-2-8-18-40)60(61-59(47)48-23-13-14-24-58(48)65-61)64-55-31-27-45(41-19-9-3-10-20-41)35-51(55)52-36-46(28-32-56(52)64)42-21-11-4-12-22-42;62-38-52-60-47-23-13-14-24-58(47)65-59(60)37-57(63-53-29-25-43(39-15-5-1-6-16-39)33-48(53)49-34-44(26-30-54(49)63)40-17-7-2-8-18-40)61(52)64-55-31-27-45(41-19-9-3-10-20-41)35-50(55)51-36-46(28-32-56(51)64)42-21-11-4-12-22-42;62-38-52-57(63-53-29-25-43(39-15-5-1-6-16-39)33-48(53)49-34-44(26-30-54(49)63)40-17-7-2-8-18-40)37-58(61-60(52)47-23-13-14-24-59(47)65-61)64-55-31-27-45(41-19-9-3-10-20-41)35-50(55)51-36-46(28-32-56(51)64)42-21-11-4-12-22-42/h3*1-37H
InChIKeyTZXICGAFFBUQEA-UHFFFAOYSA-N
XLogP50.37
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002532.16
LogP ≤ 550.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile with MolForge

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Related Compounds

1,2-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 155131504
2,3-di(carbazol-9-yl)dibenzothiophene-1-carbonitrile
CID 155131519
2-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-1,3-dicarbonitrile
CID 146563528
2,6-di(carbazol-9-yl)-4-phenyl-3,5-bis(9-phenyl-[1]benzothiolo[3,2-a]carbazol-12-yl)benzonitrile
CID 170001445
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
4-isocyano-2,5-bis(10-phenyl-[1]benzothiolo[2,3-b]carbazol-7-yl)benzonitrile
CID 153461940
2-dibenzothiophen-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzothiophene-4-carbonitrile
CID 148734758
2-(3-dibenzothiophen-2-ylcarbazol-9-yl)benzonitrile
CID 122576000
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
5-benzo[c]carbazol-7-yl-4-(3-phenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 144765572
6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308
5-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-isocyano-2-(10-phenylbenzo[c]carbazol-7-yl)benzonitrile
CID 153462620

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile?
The IUPAC name of 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile (CID 161033272) is 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile.
What is the SMILES notation for 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile?
The canonical SMILES for 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile is N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc2sc3ccccc3c12.N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2sc3ccccc3c12.N#Cc1cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c2sc3ccccc3c12.
What is the InChIKey of 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile?
The InChIKey is TZXICGAFFBUQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C61H37N3S/c62-38-47-37-57(63-53-29-25-43(39-15-5-1-6-16-39)33-49(53)50-34-44(26-30-54(50)63)40-17-7-2-8-18-40)60(61-59(47)48-23-13-14-24-58(48)65-61)64-55-31-27-45(41-19-9-3-10-20-41)35-51(55)52-36-46(28-32-56(52)64)42-21-11-4-12-22-42;62-38-52-60-47-23-13-14-24-58(47)65-59(60)37-57(63-53-29-25-43(39-15-5-1-6-16-39)33-48(53)49-34-44(26-30-54(49)63)40-17-7-2-8-18-40)61(52)64-55-31-27-45(41-19-9-3-10-20-41)35-50(55)51-36-46(28-32-56(51)64)42-21-11-4-12-22-42;62-38-52-57(63-53-29-25-43(39-15-5-1-6-16-39)33-48(53)49-34-44(26-30-54(49)63)40-17-7-2-8-18-40)37-58(61-60(52)47-23-13-14-24-59(47)65-61)64-55-31-27-45(41-19-9-3-10-20-41)35-50(55)51-36-46(28-32-56(51)64)42-21-11-4-12-22-42/h3*1-37H.
What are the key properties of 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile?
2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile has a molecular weight of 2532.16 g/mol, XLogP of 50.37, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;2,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile;3,4-bis(3,6-diphenylcarbazol-9-yl)dibenzothiophene-1-carbonitrile is sourced from PubChem (CID 161033272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).