N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine

C30H19NSe2 — CID 59245757

IUPACN-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine
SMILESc1ccc(N(c2cccc3c2[se]c2ccccc23)c2cccc3c2[se]c2ccccc23)cc1
InChIInChI=1S/C30H19NSe2/c1-2-10-20(11-3-1)31(25-16-8-14-23-21-12-4-6-18-27(21)32-29(23)25)26-17-9-15-24-22-13-5-7-19-28(22)33-30(24)26/h1-19H
InChIKeyBOMQYDTWRKBIID-UHFFFAOYSA-N
MW551.41 g/mol
LogP7.88
Rot. Bonds3

About N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine

N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine (PubChem CID 59245757) has the molecular formula C30H19NSe2 and a molecular weight of 551.41 g/mol. Its IUPAC name is N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine.

Molecular Properties

Compound NameN-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine
PubChem CID59245757
Molecular FormulaC30H19NSe2
Molecular Weight551.41 g/mol
Exact Mass552.98
IUPAC NameN-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine
SMILESc1ccc(N(c2cccc3c2[se]c2ccccc23)c2cccc3c2[se]c2ccccc23)cc1
InChIInChI=1S/C30H19NSe2/c1-2-10-20(11-3-1)31(25-16-8-14-23-21-12-4-6-18-27(21)32-29(23)25)26-17-9-15-24-22-13-5-7-19-28(22)33-30(24)26/h1-19H
InChIKeyBOMQYDTWRKBIID-UHFFFAOYSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.41
LogP ≤ 57.88
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-[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
3-N-[3-[3,5-bis(N-dibenzoselenophen-4-ylanilino)phenoxy]phenyl]-1-N,3-N,5-N-tri(dibenzoselenophen-4-yl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 164938030
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
N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 59245718
8-N,23-N-di(dibenzoselenophen-4-yl)-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155644818
4-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-N,N-diphenylaniline
CID 171445746
N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine
CID 171445514
N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 171445679
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445650
N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480
N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
CID 171445354

Frequently Asked Questions

What is the IUPAC name of N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine?
The IUPAC name of N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine (CID 59245757) is N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine.
What is the SMILES notation for N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine?
The canonical SMILES for N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine is c1ccc(N(c2cccc3c2[se]c2ccccc23)c2cccc3c2[se]c2ccccc23)cc1.
What is the InChIKey of N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine?
The InChIKey is BOMQYDTWRKBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NSe2/c1-2-10-20(11-3-1)31(25-16-8-14-23-21-12-4-6-18-27(21)32-29(23)25)26-17-9-15-24-22-13-5-7-19-28(22)33-30(24)26/h1-19H.
What are the key properties of N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine?
N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine has a molecular weight of 551.41 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzoselenophen-4-yl-N-phenyldibenzoselenophen-4-amine is sourced from PubChem (CID 59245757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).