2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile

C61H37N5O2S — CID 171845048

IUPAC2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)c1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C61H37N5O2S/c62-38-39-17-7-16-30-57(39)69(67,68)44-36-42(63-53-28-14-10-24-49(53)58-55(63)33-31-47-45-22-8-12-26-51(45)65(60(47)58)40-18-3-1-4-19-40)35-43(37-44)64-54-29-15-11-25-50(54)59-56(64)34-32-48-46-23-9-13-27-52(46)66(61(48)59)41-20-5-2-6-21-41/h1-37H
InChIKeyWREYBNZUFYCHGA-UHFFFAOYSA-N
MW904.07 g/mol
LogP14.78
Rot. Bonds6

About 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile

2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile (PubChem CID 171845048) has the molecular formula C61H37N5O2S and a molecular weight of 904.07 g/mol. Its IUPAC name is 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile
PubChem CID171845048
Molecular FormulaC61H37N5O2S
Molecular Weight904.07 g/mol
Exact Mass903.27
IUPAC Name2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)c1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C61H37N5O2S/c62-38-39-17-7-16-30-57(39)69(67,68)44-36-42(63-53-28-14-10-24-49(53)58-55(63)33-31-47-45-22-8-12-26-51(45)65(60(47)58)40-18-3-1-4-19-40)35-43(37-44)64-54-29-15-11-25-50(54)59-56(64)34-32-48-46-23-9-13-27-52(46)66(61(48)59)41-20-5-2-6-21-41/h1-37H
InChIKeyWREYBNZUFYCHGA-UHFFFAOYSA-N
XLogP14.78
TPSA77.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.07
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzene-1,3-dicarbonitrile
CID 171844937
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598012
2-[4-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)phenyl]sulfonylbenzonitrile
CID 175632135
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
2-[3-carbazol-9-yl-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 139339667
9-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)carbazole-1-carbonitrile
CID 134597762
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
4-[4-(11,24-diphenyl-11,15,24-triazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaen-15-yl)phenyl]sulfonylbenzonitrile
CID 175631748
12-phenyl-5-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-8-carbonitrile
CID 134597839
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
15-(3-cyanophenyl)-6,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-8-carbonitrile
CID 146180213
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile?
The IUPAC name of 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile (CID 171845048) is 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile?
The canonical SMILES for 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)c1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile?
The InChIKey is WREYBNZUFYCHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5O2S/c62-38-39-17-7-16-30-57(39)69(67,68)44-36-42(63-53-28-14-10-24-49(53)58-55(63)33-31-47-45-22-8-12-26-51(45)65(60(47)58)40-18-3-1-4-19-40)35-43(37-44)64-54-29-15-11-25-50(54)59-56(64)34-32-48-46-23-9-13-27-52(46)66(61(48)59)41-20-5-2-6-21-41/h1-37H.
What are the key properties of 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile?
2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile has a molecular weight of 904.07 g/mol, XLogP of 14.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]sulfonylbenzonitrile is sourced from PubChem (CID 171845048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).