5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile

C42H24N4 — CID 126542142

IUPAC5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cncc(C#N)c5)c4)c4cc5ccccc5cc34)c2)c1
InChIInChI=1S/C42H24N4/c43-21-27-15-35(25-45-23-27)29-9-5-11-33(17-29)41-37-13-3-4-14-38(37)42(40-20-32-8-2-1-7-31(32)19-39(40)41)34-12-6-10-30(18-34)36-16-28(22-44)24-46-26-36/h1-20,23-26H
InChIKeyQPIRNIUHPINZMF-UHFFFAOYSA-N
MW584.68 g/mol
LogP10.35
Rot. Bonds4

About 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile

5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 126542142) has the molecular formula C42H24N4 and a molecular weight of 584.68 g/mol. Its IUPAC name is 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
PubChem CID126542142
Molecular FormulaC42H24N4
Molecular Weight584.68 g/mol
Exact Mass584.20
IUPAC Name5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cncc(C#N)c5)c4)c4cc5ccccc5cc34)c2)c1
InChIInChI=1S/C42H24N4/c43-21-27-15-35(25-45-23-27)29-9-5-11-33(17-29)41-37-13-3-4-14-38(37)42(40-20-32-8-2-1-7-31(32)19-39(40)41)34-12-6-10-30(18-34)36-16-28(22-44)24-46-26-36/h1-20,23-26H
InChIKeyQPIRNIUHPINZMF-UHFFFAOYSA-N
XLogP10.35
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine-3-carbonitrile
CID 126502531
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
CID 89026906
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-(3-spiro[benzo[c]fluorene-7,9'-fluorene]-10-ylphenyl)pyridine-3-carbonitrile
CID 118397292
5-[6-[10-(4-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine-3-carbonitrile
CID 126542215
5-(3-chlorophenyl)pyridine-3-carbonitrile
CID 71303498
4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile
CID 118397252
5-[3-[4-[3-(5-isocyano-3-pyridinyl)phenyl]naphthalen-1-yl]phenyl]pyridine-3-carbonitrile
CID 140769516
5-[3-[4-[4-[3-(5-isocyano-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]pyridine-3-carbonitrile
CID 140768910
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
5-[4-[10-[6-(5-cyano-3-pyridinyl)pyridazin-3-yl]anthracen-9-yl]phenyl]pyridine-3-carbonitrile
CID 126541950

Frequently Asked Questions

What is the IUPAC name of 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile (CID 126542142) is 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5cncc(C#N)c5)c4)c4cc5ccccc5cc34)c2)c1.
What is the InChIKey of 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is QPIRNIUHPINZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4/c43-21-27-15-35(25-45-23-27)29-9-5-11-33(17-29)41-37-13-3-4-14-38(37)42(40-20-32-8-2-1-7-31(32)19-39(40)41)34-12-6-10-30(18-34)36-16-28(22-44)24-46-26-36/h1-20,23-26H.
What are the key properties of 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile?
5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 584.68 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 126542142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).