4-diazo-2,5-diphenylpyrrole-3-carbonitrile

C17H10N4 — CID 10107157

IUPAC4-diazo-2,5-diphenylpyrrole-3-carbonitrile
SMILESN#CC1=C(c2ccccc2)N=C(c2ccccc2)C1=[N+]=[N-]
InChIInChI=1S/C17H10N4/c18-11-14-15(12-7-3-1-4-8-12)20-16(17(14)21-19)13-9-5-2-6-10-13/h1-10H
InChIKeyFBTPQTLYISWWEE-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.09
Rot. Bonds2

About 4-diazo-2,5-diphenylpyrrole-3-carbonitrile

4-diazo-2,5-diphenylpyrrole-3-carbonitrile (PubChem CID 10107157) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-diazo-2,5-diphenylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-diazo-2,5-diphenylpyrrole-3-carbonitrile
PubChem CID10107157
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name4-diazo-2,5-diphenylpyrrole-3-carbonitrile
SMILESN#CC1=C(c2ccccc2)N=C(c2ccccc2)C1=[N+]=[N-]
InChIInChI=1S/C17H10N4/c18-11-14-15(12-7-3-1-4-8-12)20-16(17(14)21-19)13-9-5-2-6-10-13/h1-10H
InChIKeyFBTPQTLYISWWEE-UHFFFAOYSA-N
XLogP3.09
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.09
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
sodium;benzonitrile;azide
CID 158967715
3-diazo-5,10,15,20-tetraphenylporphyrin-22-id-2-olate;nickel(2+)
CID 12000546
bis(acetonitrile);1,1'-biphenyl
CID 175366291
CID 66849194
CID 66849194
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
5,10,15,20-tetraphenyl-22,24-dihydroporphyrin-2,3,12,13-tetracarbonitrile
CID 15303294
3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
3,4,9,10-tetraphenyl-2,5,8,11-tetrazabicyclo[10.4.0]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 15873330

Frequently Asked Questions

What is the IUPAC name of 4-diazo-2,5-diphenylpyrrole-3-carbonitrile?
The IUPAC name of 4-diazo-2,5-diphenylpyrrole-3-carbonitrile (CID 10107157) is 4-diazo-2,5-diphenylpyrrole-3-carbonitrile.
What is the SMILES notation for 4-diazo-2,5-diphenylpyrrole-3-carbonitrile?
The canonical SMILES for 4-diazo-2,5-diphenylpyrrole-3-carbonitrile is N#CC1=C(c2ccccc2)N=C(c2ccccc2)C1=[N+]=[N-].
What is the InChIKey of 4-diazo-2,5-diphenylpyrrole-3-carbonitrile?
The InChIKey is FBTPQTLYISWWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-11-14-15(12-7-3-1-4-8-12)20-16(17(14)21-19)13-9-5-2-6-10-13/h1-10H.
What are the key properties of 4-diazo-2,5-diphenylpyrrole-3-carbonitrile?
4-diazo-2,5-diphenylpyrrole-3-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-2,5-diphenylpyrrole-3-carbonitrile is sourced from PubChem (CID 10107157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).