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

C46H31NSe — CID 171445512

IUPACN-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccccc6[se]c45)c3)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H31NSe/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)47(37-28-30-39-35(31-37)25-29-43-42-20-10-12-22-45(42)48-46(39)43)44-21-11-9-19-41(44)40-18-8-7-17-38(40)34-15-5-2-6-16-34/h1-31H
InChIKeyGTQVVBGFQGTGIW-UHFFFAOYSA-N
MW676.72 g/mol
LogP12.67
Rot. Bonds6

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

N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine (PubChem CID 171445512) has the molecular formula C46H31NSe and a molecular weight of 676.72 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
PubChem CID171445512
Molecular FormulaC46H31NSe
Molecular Weight676.72 g/mol
Exact Mass677.16
IUPAC NameN-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccccc6[se]c45)c3)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C46H31NSe/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)47(37-28-30-39-35(31-37)25-29-43-42-20-10-12-22-45(42)48-46(39)43)44-21-11-9-19-41(44)40-18-8-7-17-38(40)34-15-5-2-6-16-34/h1-31H
InChIKeyGTQVVBGFQGTGIW-UHFFFAOYSA-N
XLogP12.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.72
LogP ≤ 512.67
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-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480
N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
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-[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-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
N-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 59245718
N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502867
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445650

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine (CID 171445512) is N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccccc6[se]c45)c3)c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
The InChIKey is GTQVVBGFQGTGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NSe/c1-3-13-32(14-4-1)33-23-26-36(27-24-33)47(37-28-30-39-35(31-37)25-29-43-42-20-10-12-22-45(42)48-46(39)43)44-21-11-9-19-41(44)40-18-8-7-17-38(40)34-15-5-2-6-16-34/h1-31H.
What are the key properties of N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine?
N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine has a molecular weight of 676.72 g/mol, XLogP of 12.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine is sourced from PubChem (CID 171445512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).