N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline

C27H21NS — CID 58281729

IUPACN-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline
SMILESCN(c1ccccc1)c1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1
InChIInChI=1S/C27H21NS/c1-28(22-12-3-2-4-13-22)23-14-7-11-21(19-23)26-17-18-27(29-26)25-16-8-10-20-9-5-6-15-24(20)25/h2-19H,1H3
InChIKeyZNGXREIOHRVRFN-UHFFFAOYSA-N
MW391.54 g/mol
LogP8.00
Rot. Bonds4

About N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline

N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline (PubChem CID 58281729) has the molecular formula C27H21NS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline
PubChem CID58281729
Molecular FormulaC27H21NS
Molecular Weight391.54 g/mol
Exact Mass391.14
IUPAC NameN-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline
SMILESCN(c1ccccc1)c1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1
InChIInChI=1S/C27H21NS/c1-28(22-12-3-2-4-13-22)23-14-7-11-21(19-23)26-17-18-27(29-26)25-16-8-10-20-9-5-6-15-24(20)25/h2-19H,1H3
InChIKeyZNGXREIOHRVRFN-UHFFFAOYSA-N
XLogP8.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
CID 70877185
N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline
CID 177100605
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
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-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
10-N-cyclohepta-1,4,6-trien-1-yl-2-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-9-N,9-N,10-N-triphenylanthracene-9,10-diamine
CID 142828376
N-[4-[4-[4-(N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]thiophen-2-yl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58729753
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158106660

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline?
The IUPAC name of N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline (CID 58281729) is N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline.
What is the SMILES notation for N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline?
The canonical SMILES for N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline is CN(c1ccccc1)c1cccc(-c2ccc(-c3cccc4ccccc34)s2)c1.
What is the InChIKey of N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline?
The InChIKey is ZNGXREIOHRVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NS/c1-28(22-12-3-2-4-13-22)23-14-7-11-21(19-23)26-17-18-27(29-26)25-16-8-10-20-9-5-6-15-24(20)25/h2-19H,1H3.
What are the key properties of N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline?
N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline has a molecular weight of 391.54 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-naphthalen-1-ylthiophen-2-yl)-N-phenylaniline is sourced from PubChem (CID 58281729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).