2-(3-methylphenyl)-5-naphthalen-1-ylthiophene

C21H16S — CID 59500404

IUPAC2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
SMILESCc1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1
InChIInChI=1S/C21H16S/c1-15-6-4-9-17(14-15)20-12-13-21(22-20)19-11-5-8-16-7-2-3-10-18(16)19/h2-14H,1H3
InChIKeyPGLIRRCRDNOGAZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP6.54
Rot. Bonds2

About 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene

2-(3-methylphenyl)-5-naphthalen-1-ylthiophene (PubChem CID 59500404) has the molecular formula C21H16S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
PubChem CID59500404
Molecular FormulaC21H16S
Molecular Weight300.43 g/mol
Exact Mass300.10
IUPAC Name2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
SMILESCc1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1
InChIInChI=1S/C21H16S/c1-15-6-4-9-17(14-15)20-12-13-21(22-20)19-11-5-8-16-7-2-3-10-18(16)19/h2-14H,1H3
InChIKeyPGLIRRCRDNOGAZ-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline
CID 58281729
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
methane;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-phenylthiophene;2-naphthalen-1-yl-5-[2-(10-naphthalen-1-ylanthracen-9-yl)-4-(5-naphthalen-1-ylthiophen-2-yl)phenyl]thiophene
CID 157364267
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole
CID 54214405
8-(3-methylphenyl)naphtho[2,1-b][1]benzothiole
CID 166880433
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
CID 23244777
11-[3-[3-(3-methylphenyl)phenyl]phenyl]naphtho[2,1-b][1]benzothiole
CID 142294051
2,8-dimethyl-6,12-bis(3-naphthalen-1-ylphenyl)chrysene
CID 59434520
2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
CID 158205814

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene?
The IUPAC name of 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene (CID 59500404) is 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene.
What is the SMILES notation for 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene?
The canonical SMILES for 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene is Cc1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene?
The InChIKey is PGLIRRCRDNOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16S/c1-15-6-4-9-17(14-15)20-12-13-21(22-20)19-11-5-8-16-7-2-3-10-18(16)19/h2-14H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene?
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene has a molecular weight of 300.43 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-naphthalen-1-ylthiophene is sourced from PubChem (CID 59500404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).