4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile

C50H30N4 — CID 163662215

IUPAC4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C50H30N4/c51-31-43-39(33-17-5-1-6-18-33)29-40(44(32-52)47(43)34-19-7-2-8-20-34)41-30-42-37-25-13-15-27-45(37)53(35-21-9-3-10-22-35)49(42)50-48(41)38-26-14-16-28-46(38)54(50)36-23-11-4-12-24-36/h1-30H
InChIKeyMNOBOGVKQDLAQH-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.63
Rot. Bonds5

About 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile

4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile (PubChem CID 163662215) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile
PubChem CID163662215
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C50H30N4/c51-31-43-39(33-17-5-1-6-18-33)29-40(44(32-52)47(43)34-19-7-2-8-20-34)41-30-42-37-25-13-15-27-45(37)53(35-21-9-3-10-22-35)49(42)50-48(41)38-26-14-16-28-46(38)54(50)36-23-11-4-12-24-36/h1-30H
InChIKeyMNOBOGVKQDLAQH-UHFFFAOYSA-N
XLogP12.63
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(11,12-diphenylindolo[2,3-a]carbazol-4-yl)-3-isocyano-2,4-diphenylbenzonitrile
CID 163411233
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
2-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-4,6-diphenylpyrimidine-5-carbonitrile
CID 163524007
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
4-[4-(5,12-diphenylindolo[2,3-g]carbazol-4-yl)-3-isocyanophenyl]-2,6-diphenylbenzene-1,3-dicarbonitrile
CID 163474960
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
CID 138736516
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
4-(5,12-diphenylindolo[2,3-a]carbazol-11-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 155159407

Frequently Asked Questions

What is the IUPAC name of 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile (CID 163662215) is 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccccc2)cc(-c2cc3c4ccccc4n(-c4ccccc4)c3c3c2c2ccccc2n3-c2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile?
The InChIKey is MNOBOGVKQDLAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c51-31-43-39(33-17-5-1-6-18-33)29-40(44(32-52)47(43)34-19-7-2-8-20-34)41-30-42-37-25-13-15-27-45(37)53(35-21-9-3-10-22-35)49(42)50-48(41)38-26-14-16-28-46(38)54(50)36-23-11-4-12-24-36/h1-30H.
What are the key properties of 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile?
4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile has a molecular weight of 686.82 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,12-diphenylindolo[2,3-a]carbazol-5-yl)-2,6-diphenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 163662215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).