4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

C68H40N6 — CID 170050981

IUPAC4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c(C#N)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C68H40N6/c69-41-43-34-45(44-18-4-1-5-19-44)36-46(35-43)47-37-63(73-61-31-17-13-27-54(61)67-62(73)33-32-53-50-24-10-15-29-59(50)72(68(53)67)49-22-8-3-9-23-49)57(42-70)64(38-47)74-60-30-16-12-26-52(60)56-39-65-55(40-66(56)74)51-25-11-14-28-58(51)71(65)48-20-6-2-7-21-48/h1-40H
InChIKeyZLYZEZZWDQTWMM-UHFFFAOYSA-N
MW941.11 g/mol
LogP17.15
Rot. Bonds6

About 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile

4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 170050981) has the molecular formula C68H40N6 and a molecular weight of 941.11 g/mol. Its IUPAC name is 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
PubChem CID170050981
Molecular FormulaC68H40N6
Molecular Weight941.11 g/mol
Exact Mass940.33
IUPAC Name4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
SMILESN#Cc1cc(-c2ccccc2)cc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c(C#N)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C68H40N6/c69-41-43-34-45(44-18-4-1-5-19-44)36-46(35-43)47-37-63(73-61-31-17-13-27-54(61)67-62(73)33-32-53-50-24-10-15-29-59(50)72(68(53)67)49-22-8-3-9-23-49)57(42-70)64(38-47)74-60-30-16-12-26-52(60)56-39-65-55(40-66(56)74)51-25-11-14-28-58(51)71(65)48-20-6-2-7-21-48/h1-40H
InChIKeyZLYZEZZWDQTWMM-UHFFFAOYSA-N
XLogP17.15
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.11
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(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)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-4-(3-phenylphenyl)benzonitrile
CID 170051066
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163573400
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
2-carbazol-9-yl-6-(24-phenyl-15-oxa-6,24-diazaheptacyclo[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-dodecaen-6-yl)benzene-1,4-dicarbonitrile
CID 121328622
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
4-(2-cyanophenyl)-2-(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)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170051061
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
12-(3,5-diphenylphenyl)-5-phenylindolo[3,2-c]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 167636301

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The IUPAC name of 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile (CID 170050981) is 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile.
What is the SMILES notation for 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The canonical SMILES for 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cc(-c2ccccc2)cc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c(C#N)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1.
What is the InChIKey of 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
The InChIKey is ZLYZEZZWDQTWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N6/c69-41-43-34-45(44-18-4-1-5-19-44)36-46(35-43)47-37-63(73-61-31-17-13-27-54(61)67-62(73)33-32-53-50-24-10-15-29-59(50)72(68(53)67)49-22-8-3-9-23-49)57(42-70)64(38-47)74-60-30-16-12-26-52(60)56-39-65-55(40-66(56)74)51-25-11-14-28-58(51)71(65)48-20-6-2-7-21-48/h1-40H.
What are the key properties of 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile?
4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 941.11 g/mol, XLogP of 17.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-5-phenylphenyl)-2-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 170050981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).