N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

C40H25NOSe — CID 171445372

IUPACN-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4[se]c5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C40H25NOSe/c1-2-8-26(9-3-1)27-14-17-29(18-15-27)41(31-19-22-34-33-12-6-7-13-37(33)42-38(34)25-31)30-20-23-39-36(24-30)35-21-16-28-10-4-5-11-32(28)40(35)43-39/h1-25H
InChIKeyTYDILTSHMUPGGB-UHFFFAOYSA-N
MW614.61 g/mol
LogP11.24
Rot. Bonds4

About N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 171445372) 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-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID171445372
Molecular FormulaC40H25NOSe
Molecular Weight614.61 g/mol
Exact Mass615.11
IUPAC NameN-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4[se]c5c6ccccc6ccc5c4c3)cc2)cc1
InChIInChI=1S/C40H25NOSe/c1-2-8-26(9-3-1)27-14-17-29(18-15-27)41(31-19-22-34-33-12-6-7-13-37(33)42-38(34)25-31)30-20-23-39-36(24-30)35-21-16-28-10-4-5-11-32(28)40(35)43-39/h1-25H
InChIKeyTYDILTSHMUPGGB-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-8-yl-N-(4-phenylphenyl)dibenzofuran-3-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-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171445424
N-naphtho[1,2-b][1]benzoselenol-7-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445500
N-naphtho[1,2-b][1]benzoselenol-4-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 171445713
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 171445521
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445326
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 171445372) is N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4[se]c5c6ccccc6ccc5c4c3)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is TYDILTSHMUPGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOSe/c1-2-8-26(9-3-1)27-14-17-29(18-15-27)41(31-19-22-34-33-12-6-7-13-37(33)42-38(34)25-31)30-20-23-39-36(24-30)35-21-16-28-10-4-5-11-32(28)40(35)43-39/h1-25H.
What are the key properties of N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-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-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 171445372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).