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

C40H27NSe — CID 171445480

IUPACN-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc3c(ccc4c5ccccc5[se]c34)c2)cc1
InChIInChI=1S/C40H27NSe/c1-3-13-28(14-4-1)32-17-7-8-18-34(32)35-19-9-11-21-38(35)41(30-15-5-2-6-16-30)31-24-26-33-29(27-31)23-25-37-36-20-10-12-22-39(36)42-40(33)37/h1-27H
InChIKeyQQSKMPRRIGYJHI-UHFFFAOYSA-N
MW600.62 g/mol
LogP11.01
Rot. Bonds5

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

N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine (PubChem CID 171445480) has the molecular formula C40H27NSe and a molecular weight of 600.62 g/mol. Its IUPAC name is N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
PubChem CID171445480
Molecular FormulaC40H27NSe
Molecular Weight600.62 g/mol
Exact Mass601.13
IUPAC NameN-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc3c(ccc4c5ccccc5[se]c34)c2)cc1
InChIInChI=1S/C40H27NSe/c1-3-13-28(14-4-1)32-17-7-8-18-34(32)35-19-9-11-21-38(35)41(30-15-5-2-6-16-30)31-24-26-33-29(27-31)23-25-37-36-20-10-12-22-39(36)42-40(33)37/h1-27H
InChIKeyQQSKMPRRIGYJHI-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-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445512
N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine
CID 171445514
N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445539
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 59245718
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445719
N-naphtho[1,2-b][1]benzoselenol-3-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 171445521
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-2-amine
CID 171445307

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
The IUPAC name of N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine (CID 171445480) is N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine.
What is the SMILES notation for N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
The canonical SMILES for N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccccc2)c2ccc3c(ccc4c5ccccc5[se]c34)c2)cc1.
What is the InChIKey of N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
The InChIKey is QQSKMPRRIGYJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NSe/c1-3-13-28(14-4-1)32-17-7-8-18-34(32)35-19-9-11-21-38(35)41(30-15-5-2-6-16-30)31-24-26-33-29(27-31)23-25-37-36-20-10-12-22-39(36)42-40(33)37/h1-27H.
What are the key properties of N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
N-phenyl-N-[2-(2-phenylphenyl)phenyl]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-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine is sourced from PubChem (CID 171445480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).