4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile

C36H22N2 — CID 118397252

IUPAC4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4cc5ccccc5cc34)c2)ccn1
InChIInChI=1S/C36H22N2/c37-23-30-20-28(17-18-38-30)25-13-8-14-29(19-25)36-32-16-7-6-15-31(32)35(24-9-2-1-3-10-24)33-21-26-11-4-5-12-27(26)22-34(33)36/h1-22H
InChIKeyNUUSUWJKNCKZIV-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.41
Rot. Bonds3

About 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile

4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 118397252) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile
PubChem CID118397252
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4cc5ccccc5cc34)c2)ccn1
InChIInChI=1S/C36H22N2/c37-23-30-20-28(17-18-38-30)25-13-8-14-29(19-25)36-32-16-7-6-15-31(32)35(24-9-2-1-3-10-24)33-21-26-11-4-5-12-27(26)22-34(33)36/h1-22H
InChIKeyNUUSUWJKNCKZIV-UHFFFAOYSA-N
XLogP9.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine-2-carbonitrile
CID 118398135
4-[10-[10-(2-cyano-4-pyridinyl)anthracen-9-yl]anthracen-9-yl]pyridine-2-carbonitrile
CID 118397821
4-[6-[10-[10-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]anthracen-9-yl]anthracen-9-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 126542258
4-[3-(12,12-diphenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]pyridine-2-carbonitrile
CID 118398092
5-[3-[12-[3-(5-cyano-3-pyridinyl)phenyl]tetracen-5-yl]phenyl]pyridine-3-carbonitrile
CID 126542142
4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
4-[6-(10-naphthalen-1-ylanthracen-9-yl)-2-pyridinyl]pyridine-2-carbonitrile
CID 118397346
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693

Frequently Asked Questions

What is the IUPAC name of 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile (CID 118397252) is 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4cc5ccccc5cc34)c2)ccn1.
What is the InChIKey of 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is NUUSUWJKNCKZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c37-23-30-20-28(17-18-38-30)25-13-8-14-29(19-25)36-32-16-7-6-15-31(32)35(24-9-2-1-3-10-24)33-21-26-11-4-5-12-27(26)22-34(33)36/h1-22H.
What are the key properties of 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile?
4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile has a molecular weight of 482.59 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(12-phenyltetracen-5-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118397252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).