3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile

C35H21N3 — CID 170268550

IUPAC3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c32)c1
InChIInChI=1S/C35H21N3/c36-22-23-8-7-11-26(20-23)37-32-14-5-3-12-28(32)30-18-19-31-29-13-4-6-15-33(29)38(35(31)34(30)37)27-17-16-24-9-1-2-10-25(24)21-27/h1-21H
InChIKeyNUGONSQELUAQLI-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.91
Rot. Bonds2

About 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile

3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile (PubChem CID 170268550) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile
PubChem CID170268550
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c32)c1
InChIInChI=1S/C35H21N3/c36-22-23-8-7-11-26(20-23)37-32-14-5-3-12-28(32)30-18-19-31-29-13-4-6-15-33(29)38(35(31)34(30)37)27-17-16-24-9-1-2-10-25(24)21-27/h1-21H
InChIKeyNUGONSQELUAQLI-UHFFFAOYSA-N
XLogP8.91
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[12-(4-cyanophenyl)indolo[2,3-a]carbazol-11-yl]benzonitrile
CID 145345159
3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 139339673
9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170244542
5-benzo[a]carbazol-11-yl-2-carbazol-9-ylbenzonitrile
CID 166027892
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 145345087
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
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
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

Frequently Asked Questions

What is the IUPAC name of 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The IUPAC name of 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile (CID 170268550) is 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The canonical SMILES for 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile is N#Cc1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6ccccc6c5)c4c32)c1.
What is the InChIKey of 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The InChIKey is NUGONSQELUAQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c36-22-23-8-7-11-26(20-23)37-32-14-5-3-12-28(32)30-18-19-31-29-13-4-6-15-33(29)38(35(31)34(30)37)27-17-16-24-9-1-2-10-25(24)21-27/h1-21H.
What are the key properties of 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile?
3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile has a molecular weight of 483.57 g/mol, XLogP of 8.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(11-naphthalen-2-ylindolo[2,3-a]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 170268550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).