4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile

C32H18N4 — CID 145345159

IUPAC4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(C#N)cc5)c4c32)cc1
InChIInChI=1S/C32H18N4/c33-19-21-9-13-23(14-10-21)35-29-7-3-1-5-25(29)27-17-18-28-26-6-2-4-8-30(26)36(32(28)31(27)35)24-15-11-22(20-34)12-16-24/h1-18H
InChIKeyLRGIMFAXMPLDKJ-UHFFFAOYSA-N
MW458.52 g/mol
LogP7.62
Rot. Bonds2

About 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile

4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile (PubChem CID 145345159) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile.

Molecular Properties

Compound Name4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
PubChem CID145345159
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(C#N)cc5)c4c32)cc1
InChIInChI=1S/C32H18N4/c33-19-21-9-13-23(14-10-21)35-29-7-3-1-5-25(29)27-17-18-28-26-6-2-4-8-30(26)36(32(28)31(27)35)24-15-11-22(20-34)12-16-24/h1-18H
InChIKeyLRGIMFAXMPLDKJ-UHFFFAOYSA-N
XLogP7.62
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(12,18-diphenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-15-yl)phenyl]sulfonylbenzonitrile
CID 171844858
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]sulfanylbenzonitrile
CID 171844554
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[1-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]benzonitrile
CID 145345165
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 170268550
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
6-(4-cyanophenyl)-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(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180291

Frequently Asked Questions

What is the IUPAC name of 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile?
The IUPAC name of 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile (CID 145345159) is 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile.
What is the SMILES notation for 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile?
The canonical SMILES for 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(C#N)cc5)c4c32)cc1.
What is the InChIKey of 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile?
The InChIKey is LRGIMFAXMPLDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c33-19-21-9-13-23(14-10-21)35-29-7-3-1-5-25(29)27-17-18-28-26-6-2-4-8-30(26)36(32(28)31(27)35)24-15-11-22(20-34)12-16-24/h1-18H.
What are the key properties of 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile?
4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile has a molecular weight of 458.52 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile is sourced from PubChem (CID 145345159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).