[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene

C19H14N2 — CID 139241625

IUPAC[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene
SMILESC(#Cc1ccc(/N=N/c2ccccc2)cc1)C1=CC=CC1
InChIInChI=1S/C19H14N2/c1-2-8-18(9-3-1)20-21-19-14-12-17(13-15-19)11-10-16-6-4-5-7-16/h1-6,8-9,12-15H,7H2/b21-20+
InChIKeyHNFPQCIRENBMLK-QZQOTICOSA-N
MW270.33 g/mol
LogP5.34
Rot. Bonds2

About [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene

[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene (PubChem CID 139241625) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene
PubChem CID139241625
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene
SMILESC(#Cc1ccc(/N=N/c2ccccc2)cc1)C1=CC=CC1
InChIInChI=1S/C19H14N2/c1-2-8-18(9-3-1)20-21-19-14-12-17(13-15-19)11-10-16-6-4-5-7-16/h1-6,8-9,12-15H,7H2/b21-20+
InChIKeyHNFPQCIRENBMLK-QZQOTICOSA-N
XLogP5.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.33
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene
CID 102382903
1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene
CID 138976001
1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(4-nitrophenyl)benzene
CID 102382902
phenyl-[4-(2-thiophen-3-ylethynyl)phenyl]diazene
CID 132503077
(4-ethynylphenyl)-phenyldiazene
CID 54055735
3-(2-cyclopenta-1,3-dien-1-ylethynyl)perylene
CID 15374358
2-(5-methylcyclohexa-1,3-dien-1-yl)ethynylbenzene
CID 15394481
bis[4-[2-(4-bromophenyl)ethynyl]phenyl]diazene
CID 141228523
diphenyldiazene;hydrofluoride
CID 174857584
cyclohexa-1,3-dien-1-yl-[4-(4-phenyldiazenylphenyl)phenyl]diazene
CID 170130172
(4-methylsulfanylphenyl)-phenyldiazene
CID 23247472
4-[(3-cyclopenta-1,3-dien-1-ylphenyl)diazenyl]benzoic acid
CID 102404378

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene?
The IUPAC name of [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene (CID 139241625) is [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene.
What is the SMILES notation for [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene?
The canonical SMILES for [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene is C(#Cc1ccc(/N=N/c2ccccc2)cc1)C1=CC=CC1.
What is the InChIKey of [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene?
The InChIKey is HNFPQCIRENBMLK-QZQOTICOSA-N. The full InChI is InChI=1S/C19H14N2/c1-2-8-18(9-3-1)20-21-19-14-12-17(13-15-19)11-10-16-6-4-5-7-16/h1-6,8-9,12-15H,7H2/b21-20+.
What are the key properties of [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene?
[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene has a molecular weight of 270.33 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene is sourced from PubChem (CID 139241625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).