2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C67H41N5 — CID 137368903

IUPAC2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccccc1
InChIInChI=1S/C67H41N5/c68-42-53-62(43-21-5-1-6-22-43)60(71-54-33-17-13-29-47(54)49-37-39-58-64(66(49)71)51-31-15-19-35-56(51)69(58)45-25-9-3-10-26-45)41-61(63(53)44-23-7-2-8-24-44)72-55-34-18-14-30-48(55)50-38-40-59-65(67(50)72)52-32-16-20-36-57(52)70(59)46-27-11-4-12-28-46/h1-41H
InChIKeyULMSBJVKPIQKJN-UHFFFAOYSA-N
MW916.10 g/mol
LogP17.28
Rot. Bonds6

About 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 137368903) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID137368903
Molecular FormulaC67H41N5
Molecular Weight916.10 g/mol
Exact Mass915.34
IUPAC Name2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccccc1
InChIInChI=1S/C67H41N5/c68-42-53-62(43-21-5-1-6-22-43)60(71-54-33-17-13-29-47(54)49-37-39-58-64(66(49)71)51-31-15-19-35-56(51)69(58)45-25-9-3-10-26-45)41-61(63(53)44-23-7-2-8-24-44)72-55-34-18-14-30-48(55)50-38-40-59-65(67(50)72)52-32-16-20-36-57(52)70(59)46-27-11-4-12-28-46/h1-41H
InChIKeyULMSBJVKPIQKJN-UHFFFAOYSA-N
XLogP17.28
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.10
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050483
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
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
4-isocyano-3-phenyl-2,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170670751
4-(15,24-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-dodecaen-6-yl)-6-phenylbenzene-1,3-dicarbonitrile
CID 146180148
4-(4,6-diphenylpyrimidin-2-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 177100715
2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
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
6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile
CID 146562805
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
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

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 137368903) is 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1-c1ccccc1.
What is the InChIKey of 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is ULMSBJVKPIQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N5/c68-42-53-62(43-21-5-1-6-22-43)60(71-54-33-17-13-29-47(54)49-37-39-58-64(66(49)71)51-31-15-19-35-56(51)69(58)45-25-9-3-10-26-45)41-61(63(53)44-23-7-2-8-24-44)72-55-34-18-14-30-48(55)50-38-40-59-65(67(50)72)52-32-16-20-36-57(52)70(59)46-27-11-4-12-28-46/h1-41H.
What are the key properties of 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 916.10 g/mol, XLogP of 17.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 137368903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).