N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine

C21H16ClNSe — CID 156690104

IUPACN-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
SMILESCc1ccc(N(c2ccc(Cl)cc2)c2ccc[se]2)c2ccccc12
InChIInChI=1S/C21H16ClNSe/c1-15-8-13-20(19-6-3-2-5-18(15)19)23(21-7-4-14-24-21)17-11-9-16(22)10-12-17/h2-14H,1H3
InChIKeyKLFJIEALJOLLLF-UHFFFAOYSA-N
MW396.78 g/mol
LogP6.33
Rot. Bonds3

About N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine

N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine (PubChem CID 156690104) has the molecular formula C21H16ClNSe and a molecular weight of 396.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
PubChem CID156690104
Molecular FormulaC21H16ClNSe
Molecular Weight396.78 g/mol
Exact Mass397.01
IUPAC NameN-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
SMILESCc1ccc(N(c2ccc(Cl)cc2)c2ccc[se]2)c2ccccc12
InChIInChI=1S/C21H16ClNSe/c1-15-8-13-20(19-6-3-2-5-18(15)19)23(21-7-4-14-24-21)17-11-9-16(22)10-12-17/h2-14H,1H3
InChIKeyKLFJIEALJOLLLF-UHFFFAOYSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.78
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine
CID 156690100
N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
CID 121444405
4-[4-[bis(4-methylnaphthalen-1-yl)amino]phenyl]benzoic acid
CID 139962476
9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine
CID 20665542
1,3-dimethyl-5-[[5-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 140856950
4-N,7-N-bis(4-methylnaphthalen-1-yl)-4-N,7-N-bis(4-methylphenyl)-2-phenylbenzotriazole-4,7-diamine
CID 118429653
(2Z)-2-[(5Z)-5-[[5-(4-chloro-N-(4-methylnaphthalen-1-yl)anilino)selenophen-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-isocyanoacetonitrile
CID 140718523
N-(4-chlorophenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142730125
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-amine
CID 168837065
N-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-4-methyl-N-(4-methylnaphthalen-1-yl)naphthalen-1-amine
CID 168837143
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
The IUPAC name of N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine (CID 156690104) is N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine is Cc1ccc(N(c2ccc(Cl)cc2)c2ccc[se]2)c2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
The InChIKey is KLFJIEALJOLLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNSe/c1-15-8-13-20(19-6-3-2-5-18(15)19)23(21-7-4-14-24-21)17-11-9-16(22)10-12-17/h2-14H,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine?
N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine has a molecular weight of 396.78 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(4-methylnaphthalen-1-yl)selenophen-2-amine is sourced from PubChem (CID 156690104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).