2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile

C26H15N3 — CID 42640668

IUPAC2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12
InChIInChI=1S/C26H15N3/c27-16-19(17-28)14-18-12-13-26-23(15-18)22-9-3-4-10-25(22)29(26)24-11-5-7-20-6-1-2-8-21(20)24/h1-15H
InChIKeyDOGBEHKNCOFGPD-UHFFFAOYSA-N
MW369.43 g/mol
LogP6.37
Rot. Bonds2

About 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile

2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile (PubChem CID 42640668) has the molecular formula C26H15N3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile
PubChem CID42640668
Molecular FormulaC26H15N3
Molecular Weight369.43 g/mol
Exact Mass369.13
IUPAC Name2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12
InChIInChI=1S/C26H15N3/c27-16-19(17-28)14-18-12-13-26-23(15-18)22-9-3-4-10-25(22)29(26)24-11-5-7-20-6-1-2-8-21(20)24/h1-15H
InChIKeyDOGBEHKNCOFGPD-UHFFFAOYSA-N
XLogP6.37
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[3-[9-[4-(2,2-dicyanoethenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methylidene]propanedinitrile
CID 122397908
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine
CID 142740278
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
9-naphthalen-1-yl-3-[(E)-2-[4-[7'-[4-[(E)-2-(9-naphthalen-1-ylcarbazol-3-yl)ethenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 59236693
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 159472470
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300

Frequently Asked Questions

What is the IUPAC name of 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile (CID 42640668) is 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc2c(c1)c1ccccc1n2-c1cccc2ccccc12.
What is the InChIKey of 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile?
The InChIKey is DOGBEHKNCOFGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3/c27-16-19(17-28)14-18-12-13-26-23(15-18)22-9-3-4-10-25(22)29(26)24-11-5-7-20-6-1-2-8-21(20)24/h1-15H.
What are the key properties of 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile?
2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile has a molecular weight of 369.43 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-naphthalen-1-ylcarbazol-3-yl)methylidene]propanedinitrile is sourced from PubChem (CID 42640668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).