N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine

C36H23NSe — CID 171445365

IUPACN-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5ccccc5[se]c34)c2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C36H23NSe/c1-2-9-27(10-3-1)37(29-18-16-25-15-14-24-8-4-5-11-30(24)34(25)23-29)28-19-21-31-26(22-28)17-20-33-32-12-6-7-13-35(32)38-36(31)33/h1-23H
InChIKeyDJDSUKOOHZKPGU-UHFFFAOYSA-N
MW548.55 g/mol
LogP9.98
Rot. Bonds3

About N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine

N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine (PubChem CID 171445365) has the molecular formula C36H23NSe and a molecular weight of 548.55 g/mol. Its IUPAC name is N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine.

Molecular Properties

Compound NameN-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
PubChem CID171445365
Molecular FormulaC36H23NSe
Molecular Weight548.55 g/mol
Exact Mass549.10
IUPAC NameN-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
SMILESc1ccc(N(c2ccc3c(ccc4c5ccccc5[se]c34)c2)c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C36H23NSe/c1-2-9-27(10-3-1)37(29-18-16-25-15-14-24-8-4-5-11-30(24)34(25)23-29)28-19-21-31-26(22-28)17-20-33-32-12-6-7-13-35(32)38-36(31)33/h1-23H
InChIKeyDJDSUKOOHZKPGU-UHFFFAOYSA-N
XLogP9.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.55
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445326
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445617
N-dibenzoselenophen-4-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445541
N-(3,5-diphenylphenyl)-N-phenylnaphtho[1,2-b][1]benzoselenol-8-amine
CID 171445606
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
N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-2-amine
CID 171445650
3-naphtho[1,2-b][1]benzoselenol-8-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 171445424
N-(3-naphtho[1,2-b][1]benzoselenol-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 171445679
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-phenyl-N-[2-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445480

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine?
The IUPAC name of N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine (CID 171445365) is N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine.
What is the SMILES notation for N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine?
The canonical SMILES for N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine is c1ccc(N(c2ccc3c(ccc4c5ccccc5[se]c34)c2)c2ccc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine?
The InChIKey is DJDSUKOOHZKPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NSe/c1-2-9-27(10-3-1)37(29-18-16-25-15-14-24-8-4-5-11-30(24)34(25)23-29)28-19-21-31-26(22-28)17-20-33-32-12-6-7-13-35(32)38-36(31)33/h1-23H.
What are the key properties of N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine?
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine has a molecular weight of 548.55 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine is sourced from PubChem (CID 171445365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).