4-(4,5-diphenylselenophen-2-yl)aniline

C22H17NSe — CID 153406893

IUPAC4-(4,5-diphenylselenophen-2-yl)aniline
SMILESNc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C22H17NSe/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H,23H2
InChIKeyYVPZIOJPAANSRM-UHFFFAOYSA-N
MW374.35 g/mol
LogP5.33
Rot. Bonds3

About 4-(4,5-diphenylselenophen-2-yl)aniline

4-(4,5-diphenylselenophen-2-yl)aniline (PubChem CID 153406893) has the molecular formula C22H17NSe and a molecular weight of 374.35 g/mol. Its IUPAC name is 4-(4,5-diphenylselenophen-2-yl)aniline.

Molecular Properties

Compound Name4-(4,5-diphenylselenophen-2-yl)aniline
PubChem CID153406893
Molecular FormulaC22H17NSe
Molecular Weight374.35 g/mol
Exact Mass375.05
IUPAC Name4-(4,5-diphenylselenophen-2-yl)aniline
SMILESNc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C22H17NSe/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H,23H2
InChIKeyYVPZIOJPAANSRM-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.35
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
2,5-diphenyl-3-phenylselanylselenophene
CID 23625101
4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 150238905
4-chloro-5-(4-phenylphenyl)benzene-1,2-diamine
CID 58387188
3-chloro-4-phenylaniline;hydrochloride
CID 91622859
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618
4-anthracen-1-ylaniline
CID 18974595
4-[9-(4-aminophenyl)-14,19-diphenyl-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]aniline
CID 140932080
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
4-[5-(4-aminophenyl)-2,4-dibromophenyl]aniline
CID 89059489
3,4,5-triphenylaniline
CID 123249258

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenylselenophen-2-yl)aniline?
The IUPAC name of 4-(4,5-diphenylselenophen-2-yl)aniline (CID 153406893) is 4-(4,5-diphenylselenophen-2-yl)aniline.
What is the SMILES notation for 4-(4,5-diphenylselenophen-2-yl)aniline?
The canonical SMILES for 4-(4,5-diphenylselenophen-2-yl)aniline is Nc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[se]2)cc1.
What is the InChIKey of 4-(4,5-diphenylselenophen-2-yl)aniline?
The InChIKey is YVPZIOJPAANSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NSe/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H,23H2.
What are the key properties of 4-(4,5-diphenylselenophen-2-yl)aniline?
4-(4,5-diphenylselenophen-2-yl)aniline has a molecular weight of 374.35 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenylselenophen-2-yl)aniline is sourced from PubChem (CID 153406893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).