2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile

C36H21N3 — CID 122433645

IUPAC2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12
InChIInChI=1S/C36H21N3/c37-22-26-10-5-11-27(23-38)35(26)32-15-7-9-25-8-6-14-29(36(25)32)24-18-20-28(21-19-24)39-33-16-3-1-12-30(33)31-13-2-4-17-34(31)39/h1-21H
InChIKeyWNWPESCKRSSTRJ-UHFFFAOYSA-N
MW495.59 g/mol
LogP9.01
Rot. Bonds3

About 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile

2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 122433645) has the molecular formula C36H21N3 and a molecular weight of 495.59 g/mol. Its IUPAC name is 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
PubChem CID122433645
Molecular FormulaC36H21N3
Molecular Weight495.59 g/mol
Exact Mass495.17
IUPAC Name2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cccc2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12
InChIInChI=1S/C36H21N3/c37-22-26-10-5-11-27(23-38)35(26)32-15-7-9-25-8-6-14-29(36(25)32)24-18-20-28(21-19-24)39-33-16-3-1-12-30(33)31-13-2-4-17-34(31)39/h1-21H
InChIKeyWNWPESCKRSSTRJ-UHFFFAOYSA-N
XLogP9.01
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.59
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
2-[10-(5-phenylindolo[3,2-b]indol-10-yl)fluoranthen-7-yl]benzene-1,3-dicarbonitrile
CID 145009472
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-carbazol-9-ylphenyl)-4-(8-phenylnaphthalen-1-yl)aniline
CID 169285498
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
2-(5,9-diphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357386
9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
CID 121286038
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
9-(4-phenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 129208210
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile (CID 122433645) is 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1cccc2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c12.
What is the InChIKey of 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is WNWPESCKRSSTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3/c37-22-26-10-5-11-27(23-38)35(26)32-15-7-9-25-8-6-14-29(36(25)32)24-18-20-28(21-19-24)39-33-16-3-1-12-30(33)31-13-2-4-17-34(31)39/h1-21H.
What are the key properties of 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile?
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 495.59 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 122433645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).