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

C46H31NSe — CID 171445679

IUPACN-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5ccc6c7ccccc7[se]c6c5c4)c3)cc2)cc1
InChIInChI=1S/C46H31NSe/c1-3-11-32(12-4-1)34-23-26-39(27-24-34)47(40-17-9-15-36(29-40)33-13-5-2-6-14-33)41-18-10-16-37(30-41)38-22-21-35-25-28-43-42-19-7-8-20-45(42)48-46(43)44(35)31-38/h1-31H
InChIKeyRGJGKRPNNUUDJY-UHFFFAOYSA-N
MW676.72 g/mol
LogP12.67
Rot. Bonds6

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

N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 171445679) has the molecular formula C46H31NSe and a molecular weight of 676.72 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
PubChem CID171445679
Molecular FormulaC46H31NSe
Molecular Weight676.72 g/mol
Exact Mass677.16
IUPAC NameN-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5ccc6c7ccccc7[se]c6c5c4)c3)cc2)cc1
InChIInChI=1S/C46H31NSe/c1-3-11-32(12-4-1)34-23-26-39(27-24-34)47(40-17-9-15-36(29-40)33-13-5-2-6-14-33)41-18-10-16-37(30-41)38-22-21-35-25-28-43-42-19-7-8-20-45(42)48-46(43)44(35)31-38/h1-31H
InChIKeyRGJGKRPNNUUDJY-UHFFFAOYSA-N
XLogP12.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.72
LogP ≤ 512.67
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-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
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171445424
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-2-amine
CID 171445307
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-3-amine
CID 171445617
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
4-N-(4-dibenzoselenophen-2-ylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 59245836
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
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

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline (CID 171445679) is N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5ccc6c7ccccc7[se]c6c5c4)c3)cc2)cc1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is RGJGKRPNNUUDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NSe/c1-3-11-32(12-4-1)34-23-26-39(27-24-34)47(40-17-9-15-36(29-40)33-13-5-2-6-14-33)41-18-10-16-37(30-41)38-22-21-35-25-28-43-42-19-7-8-20-45(42)48-46(43)44(35)31-38/h1-31H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline?
N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 676.72 g/mol, XLogP of 12.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171445679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).