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

C40H27NSe — CID 171445326

IUPACN,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c6ccccc6[se]c45)c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-9-28(10-4-1)30-15-20-33(21-16-30)41(34-22-17-31(18-23-34)29-11-5-2-6-12-29)35-24-26-36-32(27-35)19-25-38-37-13-7-8-14-39(37)42-40(36)38/h1-27H
InChIKeyGPDSHVNTFMTBST-UHFFFAOYSA-N
MW600.62 g/mol
LogP11.01
Rot. Bonds5

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

N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine (PubChem CID 171445326) has the molecular formula C40H27NSe and a molecular weight of 600.62 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
PubChem CID171445326
Molecular FormulaC40H27NSe
Molecular Weight600.62 g/mol
Exact Mass601.13
IUPAC NameN,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c6ccccc6[se]c45)c3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-9-28(10-4-1)30-15-20-33(21-16-30)41(34-22-17-31(18-23-34)29-11-5-2-6-12-29)35-24-26-36-32(27-35)19-25-38-37-13-7-8-14-39(37)42-40(36)38/h1-27H
InChIKeyGPDSHVNTFMTBST-UHFFFAOYSA-N
XLogP11.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.62
LogP ≤ 511.01
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-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445617
N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445512
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-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
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-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine (CID 171445326) is N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(ccc5c6ccccc6[se]c45)c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine?
The InChIKey is GPDSHVNTFMTBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NSe/c1-3-9-28(10-4-1)30-15-20-33(21-16-30)41(34-22-17-31(18-23-34)29-11-5-2-6-12-29)35-24-26-36-32(27-35)19-25-38-37-13-7-8-14-39(37)42-40(36)38/h1-27H.
What are the key properties of N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine?
N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine has a molecular weight of 600.62 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine is sourced from PubChem (CID 171445326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).