gold;pentacene

C22H14Au — CID 162013118

IUPACgold;pentacene
SMILES[Au].c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIInChI=1S/C22H14.Au/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;/h1-14H;
InChIKeyYTSWYTJUJOLKCZ-UHFFFAOYSA-N
MW475.32 g/mol
LogP6.30
Rot. Bonds

About gold;pentacene

gold;pentacene (PubChem CID 162013118) has the molecular formula C22H14Au and a molecular weight of 475.32 g/mol. Its IUPAC name is gold;pentacene.

Molecular Properties

Compound Namegold;pentacene
PubChem CID162013118
Molecular FormulaC22H14Au
Molecular Weight475.32 g/mol
Exact Mass475.08
IUPAC Namegold;pentacene
SMILES[Au].c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIInChI=1S/C22H14.Au/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;/h1-14H;
InChIKeyYTSWYTJUJOLKCZ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.32
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
ethane;pentacene
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CID 158474185
CID 158474185
sodium;anthracene;hydride
CID 173035649
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tetrakis(methanediimine);tetracene
CID 175029829
anthracene;ethane;naphthalene
CID 159079166
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
CID 173173087
CID 173173087

Frequently Asked Questions

What is the IUPAC name of gold;pentacene?
The IUPAC name of gold;pentacene (CID 162013118) is gold;pentacene.
What is the SMILES notation for gold;pentacene?
The canonical SMILES for gold;pentacene is [Au].c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.
What is the InChIKey of gold;pentacene?
The InChIKey is YTSWYTJUJOLKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14.Au/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;/h1-14H;.
What are the key properties of gold;pentacene?
gold;pentacene has a molecular weight of 475.32 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for gold;pentacene is sourced from PubChem (CID 162013118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).