10-(10-phenylanthracen-9-yl)decane-1-thiol

C30H34S — CID 90045086

IUPAC10-(10-phenylanthracen-9-yl)decane-1-thiol
SMILESSCCCCCCCCCCc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C30H34S/c31-23-15-6-4-2-1-3-5-10-18-25-26-19-11-13-21-28(26)30(24-16-8-7-9-17-24)29-22-14-12-20-27(25)29/h7-9,11-14,16-17,19-22,31H,1-6,10,15,18,23H2
InChIKeyXLWUWCNKUWJHQC-UHFFFAOYSA-N
MW426.67 g/mol
LogP9.25
Rot. Bonds11

About 10-(10-phenylanthracen-9-yl)decane-1-thiol

10-(10-phenylanthracen-9-yl)decane-1-thiol (PubChem CID 90045086) has the molecular formula C30H34S and a molecular weight of 426.67 g/mol. Its IUPAC name is 10-(10-phenylanthracen-9-yl)decane-1-thiol.

Molecular Properties

Compound Name10-(10-phenylanthracen-9-yl)decane-1-thiol
PubChem CID90045086
Molecular FormulaC30H34S
Molecular Weight426.67 g/mol
Exact Mass426.24
IUPAC Name10-(10-phenylanthracen-9-yl)decane-1-thiol
SMILESSCCCCCCCCCCc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C30H34S/c31-23-15-6-4-2-1-3-5-10-18-25-26-19-11-13-21-28(26)30(24-16-8-7-9-17-24)29-22-14-12-20-27(25)29/h7-9,11-14,16-17,19-22,31H,1-6,10,15,18,23H2
InChIKeyXLWUWCNKUWJHQC-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

12-[4,5-diphenyl-2-(12-sulfanyldodecyl)-3,6-bis(sulfanylmethyl)phenyl]dodecane-1-thiol
CID 88834407
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
5-(2-phenylphenyl)pentane-1-thiol
CID 10753589
9,10-bis(5-iodopentyl)anthracene
CID 87842660
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-(8-acridin-9-yloctyl)acridine
CID 10504492
5-[4-[10-[3,6-bis(N-phenylanilino)carbazol-9-yl]anthracen-9-yl]phenyl]pentane-1-thiol
CID 118489891
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
6-(2,6-dichlorophenyl)hexane-1-thiol
CID 10777932
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618

Frequently Asked Questions

What is the IUPAC name of 10-(10-phenylanthracen-9-yl)decane-1-thiol?
The IUPAC name of 10-(10-phenylanthracen-9-yl)decane-1-thiol (CID 90045086) is 10-(10-phenylanthracen-9-yl)decane-1-thiol.
What is the SMILES notation for 10-(10-phenylanthracen-9-yl)decane-1-thiol?
The canonical SMILES for 10-(10-phenylanthracen-9-yl)decane-1-thiol is SCCCCCCCCCCc1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 10-(10-phenylanthracen-9-yl)decane-1-thiol?
The InChIKey is XLWUWCNKUWJHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34S/c31-23-15-6-4-2-1-3-5-10-18-25-26-19-11-13-21-28(26)30(24-16-8-7-9-17-24)29-22-14-12-20-27(25)29/h7-9,11-14,16-17,19-22,31H,1-6,10,15,18,23H2.
What are the key properties of 10-(10-phenylanthracen-9-yl)decane-1-thiol?
10-(10-phenylanthracen-9-yl)decane-1-thiol has a molecular weight of 426.67 g/mol, XLogP of 9.25, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-phenylanthracen-9-yl)decane-1-thiol is sourced from PubChem (CID 90045086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).