2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene

C34H36OS2 — CID 101113264

IUPAC2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCOc1ccc2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)ccc2c1
InChIInChI=1S/C34H36OS2/c1-2-3-4-5-6-7-8-12-23-35-30-18-17-27-24-29(16-15-28(27)25-30)32-20-22-34(37-32)33-21-19-31(36-33)26-13-10-9-11-14-26/h9-11,13-22,24-25H,2-8,12,23H2,1H3
InChIKeyQUOLHZGKEXWPEH-UHFFFAOYSA-N
MW524.80 g/mol
LogP11.48
Rot. Bonds13

About 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene

2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene (PubChem CID 101113264) has the molecular formula C34H36OS2 and a molecular weight of 524.80 g/mol. Its IUPAC name is 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
PubChem CID101113264
Molecular FormulaC34H36OS2
Molecular Weight524.80 g/mol
Exact Mass524.22
IUPAC Name2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCOc1ccc2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)ccc2c1
InChIInChI=1S/C34H36OS2/c1-2-3-4-5-6-7-8-12-23-35-30-18-17-27-24-29(16-15-28(27)25-30)32-20-22-34(37-32)33-21-19-31(36-33)26-13-10-9-11-14-26/h9-11,13-22,24-25H,2-8,12,23H2,1H3
InChIKeyQUOLHZGKEXWPEH-UHFFFAOYSA-N
XLogP11.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.80
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319
2-(6-butoxynaphthalen-2-yl)-5-chlorothiophene
CID 139902358
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099
5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
CID 23354778
1-pentoxy-4-phenylbenzene
CID 7021155
2-(4-octoxyphenyl)-5-[7-[5-[5-[7-[5-[5-[7-[5-(4-octoxyphenyl)thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dioctylfluoren-2-yl]thiophene
CID 102048532
2-butoxy-5-[4-(4-dodecoxyphenyl)phenyl]thiophene
CID 10863935
2,7-bis[5-(4-octoxyphenyl)thiophen-2-yl]-9-octylcarbazole
CID 102055404
4-(6-octoxynaphthalen-2-yl)pyridin-1-ium tetrafluoroborate
CID 87769794

Frequently Asked Questions

What is the IUPAC name of 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene?
The IUPAC name of 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene (CID 101113264) is 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene?
The canonical SMILES for 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene is CCCCCCCCCCOc1ccc2cc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)ccc2c1.
What is the InChIKey of 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene?
The InChIKey is QUOLHZGKEXWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36OS2/c1-2-3-4-5-6-7-8-12-23-35-30-18-17-27-24-29(16-15-28(27)25-30)32-20-22-34(37-32)33-21-19-31(36-33)26-13-10-9-11-14-26/h9-11,13-22,24-25H,2-8,12,23H2,1H3.
What are the key properties of 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene?
2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene has a molecular weight of 524.80 g/mol, XLogP of 11.48, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-decoxynaphthalen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene is sourced from PubChem (CID 101113264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).