N,N-diphenylpyren-1-amine

C28H19N — CID 15376223

IUPACN,N-diphenylpyren-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C28H19N/c1-3-10-23(11-4-1)29(24-12-5-2-6-13-24)26-19-17-22-15-14-20-8-7-9-21-16-18-25(26)28(22)27(20)21/h1-19H
InChIKeyZSLFSAHSXHFESK-UHFFFAOYSA-N
MW369.47 g/mol
LogP8.05
Rot. Bonds3

About N,N-diphenylpyren-1-amine

N,N-diphenylpyren-1-amine (PubChem CID 15376223) has the molecular formula C28H19N and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N-diphenylpyren-1-amine.

Molecular Properties

Compound NameN,N-diphenylpyren-1-amine
PubChem CID15376223
Molecular FormulaC28H19N
Molecular Weight369.47 g/mol
Exact Mass369.15
IUPAC NameN,N-diphenylpyren-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C28H19N/c1-3-10-23(11-4-1)29(24-12-5-2-6-13-24)26-19-17-22-15-14-20-8-7-9-21-16-18-25(26)28(22)27(20)21/h1-19H
InChIKeyZSLFSAHSXHFESK-UHFFFAOYSA-N
XLogP8.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenylpyren-1-amine?
The IUPAC name of N,N-diphenylpyren-1-amine (CID 15376223) is N,N-diphenylpyren-1-amine.
What is the SMILES notation for N,N-diphenylpyren-1-amine?
The canonical SMILES for N,N-diphenylpyren-1-amine is c1ccc(N(c2ccccc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N,N-diphenylpyren-1-amine?
The InChIKey is ZSLFSAHSXHFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N/c1-3-10-23(11-4-1)29(24-12-5-2-6-13-24)26-19-17-22-15-14-20-8-7-9-21-16-18-25(26)28(22)27(20)21/h1-19H.
What are the key properties of N,N-diphenylpyren-1-amine?
N,N-diphenylpyren-1-amine has a molecular weight of 369.47 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylpyren-1-amine is sourced from PubChem (CID 15376223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).