3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile

C32H14Cl4N2 — CID 134950266

IUPAC3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile
SMILESN#Cc1c2cc(Cl)ccc2c(-c2ccc(Cl)cc2)c2c(C#N)c3cc(Cl)ccc3c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C32H14Cl4N2/c33-19-5-1-17(2-6-19)29-23-11-9-21(35)13-25(23)28(16-38)32-30(18-3-7-20(34)8-4-18)24-12-10-22(36)14-26(24)27(15-37)31(29)32/h1-14H
InChIKeyMETVFWPFBLUBSL-UHFFFAOYSA-N
MW568.29 g/mol
LogP10.84
Rot. Bonds2

About 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile

3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile (PubChem CID 134950266) has the molecular formula C32H14Cl4N2 and a molecular weight of 568.29 g/mol. Its IUPAC name is 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile.

Molecular Properties

Compound Name3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile
PubChem CID134950266
Molecular FormulaC32H14Cl4N2
Molecular Weight568.29 g/mol
Exact Mass565.99
IUPAC Name3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile
SMILESN#Cc1c2cc(Cl)ccc2c(-c2ccc(Cl)cc2)c2c(C#N)c3cc(Cl)ccc3c(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C32H14Cl4N2/c33-19-5-1-17(2-6-19)29-23-11-9-21(35)13-25(23)28(16-38)32-30(18-3-7-20(34)8-4-18)24-12-10-22(36)14-26(24)27(15-37)31(29)32/h1-14H
InChIKeyMETVFWPFBLUBSL-UHFFFAOYSA-N
XLogP10.84
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.29
LogP ≤ 510.84
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

3-chloro-8-methyl-6-(4-methylphenyl)-5H-benzo[b]carbazole-11-carbonitrile
CID 153408215
2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene
CID 59992702
2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010180
4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]benzonitrile
CID 169275226
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
2-amino-4-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3330133
5-bromo-4-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010126
5-(4-chlorophenyl)benzene-1,3-dicarbonitrile
CID 142726083
2-bromo-6-chloro-1-benzothiophene-3-carbonitrile
CID 131053408
5-chloro-2-phenyl-1H-indole-3-carbonitrile
CID 22083583
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
2-chloro-9,10-diethynylanthracene
CID 21113563

Frequently Asked Questions

What is the IUPAC name of 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile?
The IUPAC name of 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile (CID 134950266) is 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile.
What is the SMILES notation for 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile?
The canonical SMILES for 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile is N#Cc1c2cc(Cl)ccc2c(-c2ccc(Cl)cc2)c2c(C#N)c3cc(Cl)ccc3c(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile?
The InChIKey is METVFWPFBLUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14Cl4N2/c33-19-5-1-17(2-6-19)29-23-11-9-21(35)13-25(23)28(16-38)32-30(18-3-7-20(34)8-4-18)24-12-10-22(36)14-26(24)27(15-37)31(29)32/h1-14H.
What are the key properties of 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile?
3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile has a molecular weight of 568.29 g/mol, XLogP of 10.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dichloro-6,12-bis(4-chlorophenyl)tetracene-5,11-dicarbonitrile is sourced from PubChem (CID 134950266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).