N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

C40H25NOSe — CID 171445500

IUPACN-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4[se]c5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C40H25NOSe/c1-2-9-26(10-3-1)27-17-20-29(21-18-27)41(30-22-24-37-34(25-30)32-13-6-7-15-36(32)42-37)35-14-8-16-38-39(35)33-23-19-28-11-4-5-12-31(28)40(33)43-38/h1-25H
InChIKeyARTWWAWVHVEYRQ-UHFFFAOYSA-N
MW614.61 g/mol
LogP11.24
Rot. Bonds4

About N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine

N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 171445500) has the molecular formula C40H25NOSe and a molecular weight of 614.61 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID171445500
Molecular FormulaC40H25NOSe
Molecular Weight614.61 g/mol
Exact Mass615.11
IUPAC NameN-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4[se]c5c6ccccc6ccc5c34)cc2)cc1
InChIInChI=1S/C40H25NOSe/c1-2-9-26(10-3-1)27-17-20-29(21-18-27)41(30-22-24-37-34(25-30)32-13-6-7-15-36(32)42-37)35-14-8-16-38-39(35)33-23-19-28-11-4-5-12-31(28)40(33)43-38/h1-25H
InChIKeyARTWWAWVHVEYRQ-UHFFFAOYSA-N
XLogP11.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.61
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445713
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
1-N,6-N-di(dibenzofuran-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 58461990
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine
CID 169064041
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738515

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 171445500) is N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4[se]c5c6ccccc6ccc5c34)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is ARTWWAWVHVEYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOSe/c1-2-9-26(10-3-1)27-17-20-29(21-18-27)41(30-22-24-37-34(25-30)32-13-6-7-15-36(32)42-37)35-14-8-16-38-39(35)33-23-19-28-11-4-5-12-31(28)40(33)43-38/h1-25H.
What are the key properties of N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 614.61 g/mol, XLogP of 11.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 171445500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).