N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine

C34H23NSe — CID 171445514

IUPACN-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)[se]c2c4ccccc4ccc32)cc1
InChIInChI=1S/C34H23NSe/c1-3-11-24(12-4-1)28-16-9-10-18-32(28)35(26-14-5-2-6-15-26)27-20-22-30-31-21-19-25-13-7-8-17-29(25)34(31)36-33(30)23-27/h1-23H
InChIKeyMDOYZTZTIUMZNU-UHFFFAOYSA-N
MW524.53 g/mol
LogP9.34
Rot. Bonds4

About N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine

N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine (PubChem CID 171445514) has the molecular formula C34H23NSe and a molecular weight of 524.53 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine
PubChem CID171445514
Molecular FormulaC34H23NSe
Molecular Weight524.53 g/mol
Exact Mass525.10
IUPAC NameN-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)[se]c2c4ccccc4ccc32)cc1
InChIInChI=1S/C34H23NSe/c1-3-11-24(12-4-1)28-16-9-10-18-32(28)35(26-14-5-2-6-15-26)27-20-22-30-31-21-19-25-13-7-8-17-29(25)34(31)36-33(30)23-27/h1-23H
InChIKeyMDOYZTZTIUMZNU-UHFFFAOYSA-N
XLogP9.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 59.34
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-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-8-amine
CID 171445640
N-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480
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-(4-dibenzoselenophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 59245718
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
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-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-2-amine
CID 171445307
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445650
N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 171445679

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine (CID 171445514) is N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)[se]c2c4ccccc4ccc32)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine?
The InChIKey is MDOYZTZTIUMZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NSe/c1-3-11-24(12-4-1)28-16-9-10-18-32(28)35(26-14-5-2-6-15-26)27-20-22-30-31-21-19-25-13-7-8-17-29(25)34(31)36-33(30)23-27/h1-23H.
What are the key properties of N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine?
N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine has a molecular weight of 524.53 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzoselenol-9-amine is sourced from PubChem (CID 171445514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).