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

C40H27NSe — CID 171445640

IUPACN-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4[se]c5c6ccccc6ccc5c4c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-11-28(12-4-1)29-19-22-32(23-20-29)41(38-18-10-9-16-34(38)30-13-5-2-6-14-30)33-24-26-39-37(27-33)36-25-21-31-15-7-8-17-35(31)40(36)42-39/h1-27H
InChIKeyVFTJXTFPYBHQJZ-UHFFFAOYSA-N
MW600.62 g/mol
LogP11.01
Rot. Bonds5

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

N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine (PubChem CID 171445640) has the molecular formula C40H27NSe and a molecular weight of 600.62 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
PubChem CID171445640
Molecular FormulaC40H27NSe
Molecular Weight600.62 g/mol
Exact Mass601.13
IUPAC NameN-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4[se]c5c6ccccc6ccc5c4c3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C40H27NSe/c1-3-11-28(12-4-1)29-19-22-32(23-20-29)41(38-18-10-9-16-34(38)30-13-5-2-6-14-30)33-24-26-39-37(27-33)36-25-21-31-15-7-8-17-35(31)40(36)42-39/h1-27H
InChIKeyVFTJXTFPYBHQJZ-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-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445539
N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine
CID 171445514
N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445512
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
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
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171445424
N-naphtho[1,2-b][1]benzoselenol-8-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171445372
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-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 59245718
2-(6-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,N-bis(4-phenylphenyl)aniline
CID 177100332

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine (CID 171445640) is N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine is c1ccc(-c2ccc(N(c3ccc4[se]c5c6ccccc6ccc5c4c3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine?
The InChIKey is VFTJXTFPYBHQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NSe/c1-3-11-28(12-4-1)29-19-22-32(23-20-29)41(38-18-10-9-16-34(38)30-13-5-2-6-14-30)33-24-26-39-37(27-33)36-25-21-31-15-7-8-17-35(31)40(36)42-39/h1-27H.
What are the key properties of N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine?
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-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-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine is sourced from PubChem (CID 171445640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).