2-(10-naphthalen-1-ylanthracen-9-yl)thiophene

C28H18S — CID 89341887

IUPAC2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
SMILESc1csc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C28H18S/c1-2-11-20-19(9-1)10-7-16-21(20)27-22-12-3-5-14-24(22)28(26-17-8-18-29-26)25-15-6-4-13-23(25)27/h1-18H
InChIKeyFRYPFMJQEUBZKV-UHFFFAOYSA-N
MW386.52 g/mol
LogP8.54
Rot. Bonds2

About 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene

2-(10-naphthalen-1-ylanthracen-9-yl)thiophene (PubChem CID 89341887) has the molecular formula C28H18S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene.

Molecular Properties

Compound Name2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
PubChem CID89341887
Molecular FormulaC28H18S
Molecular Weight386.52 g/mol
Exact Mass386.11
IUPAC Name2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
SMILESc1csc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C28H18S/c1-2-11-20-19(9-1)10-7-16-21(20)27-22-12-3-5-14-24(22)28(26-17-8-18-29-26)25-15-6-4-13-23(25)27/h1-18H
InChIKeyFRYPFMJQEUBZKV-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole
CID 141196751
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[7,6-b][1]benzothiole
CID 176744116

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene?
The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene (CID 89341887) is 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene.
What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene?
The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene is c1csc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene?
The InChIKey is FRYPFMJQEUBZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18S/c1-2-11-20-19(9-1)10-7-16-21(20)27-22-12-3-5-14-24(22)28(26-17-8-18-29-26)25-15-6-4-13-23(25)27/h1-18H.
What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene?
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene has a molecular weight of 386.52 g/mol, XLogP of 8.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-ylanthracen-9-yl)thiophene is sourced from PubChem (CID 89341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).