3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline

C40H27NSe — CID 171445424

IUPAC3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5[se]c6c7ccccc7ccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-10-28(11-4-1)29-18-22-34(23-19-29)41(33-14-5-2-6-15-33)35-16-9-13-31(26-35)32-21-25-39-38(27-32)37-24-20-30-12-7-8-17-36(30)40(37)42-39/h1-27H
InChIKeyYOUFVIJLKSADQH-UHFFFAOYSA-N
MW600.62 g/mol
LogP11.01
Rot. Bonds5

About 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline

3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 171445424) has the molecular formula C40H27NSe and a molecular weight of 600.62 g/mol. Its IUPAC name is 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID171445424
Molecular FormulaC40H27NSe
Molecular Weight600.62 g/mol
Exact Mass601.13
IUPAC Name3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5[se]c6c7ccccc7ccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-10-28(11-4-1)29-18-22-34(23-19-29)41(33-14-5-2-6-15-33)35-16-9-13-31(26-35)32-21-25-39-38(27-32)37-24-20-30-12-7-8-17-36(30)40(37)42-39/h1-27H
InChIKeyYOUFVIJLKSADQH-UHFFFAOYSA-N
XLogP11.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.62
LogP ≤ 511.01
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-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 171445679
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445650
4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
CID 171445746
N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445326
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445617
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-2-amine
CID 171445307
N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445539
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzoselenophen-4-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzoselenophen-2-amine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzoselenophen-4-amine
CID 159477091

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline (CID 171445424) is 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5[se]c6c7ccccc7ccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YOUFVIJLKSADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NSe/c1-3-10-28(11-4-1)29-18-22-34(23-19-29)41(33-14-5-2-6-15-33)35-16-9-13-31(26-35)32-21-25-39-38(27-32)37-24-20-30-12-7-8-17-36(30)40(37)42-39/h1-27H.
What are the key properties of 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline?
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 600.62 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171445424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).