N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine

C40H23NOSe2 — CID 171445354

IUPACN-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(ccc5c6ccccc6[se]c45)c3)c3cccc4c3[se]c3ccccc34)ccc12
InChIInChI=1S/C40H23NOSe2/c1-4-13-35-28(8-1)29-21-18-26(23-36(29)42-35)41(34-12-7-11-32-30-9-2-6-15-38(30)44-40(32)34)25-17-20-27-24(22-25)16-19-33-31-10-3-5-14-37(31)43-39(27)33/h1-23H
InChIKeyBTKPGBFFKABZBZ-UHFFFAOYSA-N
MW691.55 g/mol
LogP10.94
Rot. Bonds3

About N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine

N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine (PubChem CID 171445354) has the molecular formula C40H23NOSe2 and a molecular weight of 691.55 g/mol. Its IUPAC name is N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
PubChem CID171445354
Molecular FormulaC40H23NOSe2
Molecular Weight691.55 g/mol
Exact Mass693.01
IUPAC NameN-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(ccc5c6ccccc6[se]c45)c3)c3cccc4c3[se]c3ccccc34)ccc12
InChIInChI=1S/C40H23NOSe2/c1-4-13-35-28(8-1)29-21-18-26(23-36(29)42-35)41(34-12-7-11-32-30-9-2-6-15-38(30)44-40(32)34)25-17-20-27-24(22-25)16-19-33-31-10-3-5-14-37(31)43-39(27)33/h1-23H
InChIKeyBTKPGBFFKABZBZ-UHFFFAOYSA-N
XLogP10.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.55
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 171445521
N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445713
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
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445500
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-(9,9-dimethylfluoren-1-yl)-N-naphtho[1,2-b][1]benzoselenol-9-yldibenzofuran-2-amine
CID 171445644
N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480

Frequently Asked Questions

What is the IUPAC name of N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine?
The IUPAC name of N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine (CID 171445354) is N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine?
The canonical SMILES for N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine is c1ccc2c(c1)oc1cc(N(c3ccc4c(ccc5c6ccccc6[se]c45)c3)c3cccc4c3[se]c3ccccc34)ccc12.
What is the InChIKey of N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine?
The InChIKey is BTKPGBFFKABZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NOSe2/c1-4-13-35-28(8-1)29-21-18-26(23-36(29)42-35)41(34-12-7-11-32-30-9-2-6-15-38(30)44-40(32)34)25-17-20-27-24(22-25)16-19-33-31-10-3-5-14-37(31)43-39(27)33/h1-23H.
What are the key properties of N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine?
N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine has a molecular weight of 691.55 g/mol, XLogP of 10.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzoselenophen-4-yl-N-naphtho[1,2-b][1]benzoselenol-3-yldibenzofuran-3-amine is sourced from PubChem (CID 171445354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).