N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine

C40H27NSe — CID 171445650

IUPACN-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c6ccccc6[se]c5c4c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-10-28(11-4-1)30-18-22-33(23-19-30)41(34-15-9-14-32(26-34)29-12-5-2-6-13-29)35-24-20-31-21-25-37-36-16-7-8-17-39(36)42-40(37)38(31)27-35/h1-27H
InChIKeyOYGLFAXKPYTRRG-UHFFFAOYSA-N
MW600.62 g/mol
LogP11.01
Rot. Bonds5

About N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine

N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine (PubChem CID 171445650) has the molecular formula C40H27NSe and a molecular weight of 600.62 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
PubChem CID171445650
Molecular FormulaC40H27NSe
Molecular Weight600.62 g/mol
Exact Mass601.13
IUPAC NameN-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c6ccccc6[se]c5c4c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-10-28(11-4-1)30-18-22-33(23-19-30)41(34-15-9-14-32(26-34)29-12-5-2-6-13-29)35-24-20-31-21-25-37-36-16-7-8-17-39(36)42-40(37)38(31)27-35/h1-27H
InChIKeyOYGLFAXKPYTRRG-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
4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
CID 171445746
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-2-amine
CID 171445307
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171445424
N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445326
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445617
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
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
N-[4-[4-(N-[4-[4-(N-dibenzoselenophen-2-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzoselenophen-2-amine;N-[4-[4-(N-[4-[4-(N-dibenzoselenophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzoselenophen-4-amine;4-N-dibenzoselenophen-2-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-dibenzoselenophen-4-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 161075010
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine (CID 171445650) is N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccc5c6ccccc6[se]c5c4c3)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
The InChIKey is OYGLFAXKPYTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NSe/c1-3-10-28(11-4-1)30-18-22-33(23-19-30)41(34-15-9-14-32(26-34)29-12-5-2-6-13-29)35-24-20-31-21-25-37-36-16-7-8-17-39(36)42-40(37)38(31)27-35/h1-27H.
What are the key properties of N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine?
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine 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 N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine is sourced from PubChem (CID 171445650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).