2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene

C38H24S2 — CID 4188790

IUPAC2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene
SMILESc1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)c5ccccc45)s3)cccc2c1
InChIInChI=1S/C38H24S2/c1-3-13-27-25(9-1)11-7-17-31(27)35-21-23-37(39-35)33-19-20-34(30-16-6-5-15-29(30)33)38-24-22-36(40-38)32-18-8-12-26-10-2-4-14-28(26)32/h1-24H
InChIKeyHFAVUIXKEIHDPN-UHFFFAOYSA-N
MW544.74 g/mol
LogP11.94
Rot. Bonds4

About 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene

2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene (PubChem CID 4188790) has the molecular formula C38H24S2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene
PubChem CID4188790
Molecular FormulaC38H24S2
Molecular Weight544.74 g/mol
Exact Mass544.13
IUPAC Name2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene
SMILESc1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)c5ccccc45)s3)cccc2c1
InChIInChI=1S/C38H24S2/c1-3-13-27-25(9-1)11-7-17-31(27)35-21-23-37(39-35)33-19-20-34(30-16-6-5-15-29(30)33)38-24-22-36(40-38)32-18-8-12-26-10-2-4-14-28(26)32/h1-24H
InChIKeyHFAVUIXKEIHDPN-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
The IUPAC name of 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene (CID 4188790) is 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene.
What is the SMILES notation for 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
The canonical SMILES for 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene is c1ccc2c(-c3ccc(-c4ccc(-c5ccc(-c6cccc7ccccc67)s5)c5ccccc45)s3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
The InChIKey is HFAVUIXKEIHDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24S2/c1-3-13-27-25(9-1)11-7-17-31(27)35-21-23-37(39-35)33-19-20-34(30-16-6-5-15-29(30)33)38-24-22-36(40-38)32-18-8-12-26-10-2-4-14-28(26)32/h1-24H.
What are the key properties of 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene?
2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene has a molecular weight of 544.74 g/mol, XLogP of 11.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-[4-(5-naphthalen-1-ylthiophen-2-yl)naphthalen-1-yl]thiophene is sourced from PubChem (CID 4188790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).