2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene

C28H18S2 — CID 71444357

IUPAC2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
SMILESc1csc(-c2ccc3ccccc3c2-c2c(-c3cccs3)ccc3ccccc23)c1
InChIInChI=1S/C28H18S2/c1-3-9-21-19(7-1)13-15-23(25-11-5-17-29-25)27(21)28-22-10-4-2-8-20(22)14-16-24(28)26-12-6-18-30-26/h1-18H
InChIKeyMWPQTEQJZRYQDX-UHFFFAOYSA-N
MW418.59 g/mol
LogP9.12
Rot. Bonds3

About 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene

2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene (PubChem CID 71444357) has the molecular formula C28H18S2 and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
PubChem CID71444357
Molecular FormulaC28H18S2
Molecular Weight418.59 g/mol
Exact Mass418.08
IUPAC Name2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
SMILESc1csc(-c2ccc3ccccc3c2-c2c(-c3cccs3)ccc3ccccc23)c1
InChIInChI=1S/C28H18S2/c1-3-9-21-19(7-1)13-15-23(25-11-5-17-29-25)27(21)28-22-10-4-2-8-20(22)14-16-24(28)26-12-6-18-30-26/h1-18H
InChIKeyMWPQTEQJZRYQDX-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
4-thiophen-2-yl-12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 175100091
4-thiophen-2-ylisoquinolin-3-amine
CID 138975195
2-benzo[a]anthracen-1-ylthiophene
CID 134811682
methylsulfanylbenzene;1-(2-methylsulfanylphenyl)naphthalene;2-(2-methylsulfanylphenyl)thiophene
CID 174321804
2-thiophen-2-yl-3H-benzo[e]indole
CID 131886269
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene?
The IUPAC name of 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene (CID 71444357) is 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene?
The canonical SMILES for 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene is c1csc(-c2ccc3ccccc3c2-c2c(-c3cccs3)ccc3ccccc23)c1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene?
The InChIKey is MWPQTEQJZRYQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18S2/c1-3-9-21-19(7-1)13-15-23(25-11-5-17-29-25)27(21)28-22-10-4-2-8-20(22)14-16-24(28)26-12-6-18-30-26/h1-18H.
What are the key properties of 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene?
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene has a molecular weight of 418.59 g/mol, XLogP of 9.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene is sourced from PubChem (CID 71444357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).