N-tritylquinolin-5-amine

C28H22N2 — CID 95560212

IUPACN-tritylquinolin-5-amine
SMILESc1ccc(C(Nc2cccc3ncccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)30-27-20-10-19-26-25(27)18-11-21-29-26/h1-21,30H
InChIKeyKBYBXTXCAWAVCJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.64
Rot. Bonds5

About N-tritylquinolin-5-amine

N-tritylquinolin-5-amine (PubChem CID 95560212) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-tritylquinolin-5-amine.

Molecular Properties

Compound NameN-tritylquinolin-5-amine
PubChem CID95560212
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC NameN-tritylquinolin-5-amine
SMILESc1ccc(C(Nc2cccc3ncccc23)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)30-27-20-10-19-26-25(27)18-11-21-29-26/h1-21,30H
InChIKeyKBYBXTXCAWAVCJ-UHFFFAOYSA-N
XLogP6.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Proflavine
CID 7099
Ethidium Bromide
CID 14710
Acriflavine
CID 443101
4-Methylquinoline
CID 10285
1,7-Phenanthroline
CID 67473
3-Aminoquinoline
CID 11375
JP1302
CID 540335
Bis(7)-tacrine
CID 9549196
1-Acridinamine
CID 11352
5-Aminoquinoline
CID 11911
4-(4-Dimethylaminostyryl)quinoline
CID 668053
6-Aminoquinoline
CID 11373

Frequently Asked Questions

What is the IUPAC name of N-tritylquinolin-5-amine?
The IUPAC name of N-tritylquinolin-5-amine (CID 95560212) is N-tritylquinolin-5-amine.
What is the SMILES notation for N-tritylquinolin-5-amine?
The canonical SMILES for N-tritylquinolin-5-amine is c1ccc(C(Nc2cccc3ncccc23)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-tritylquinolin-5-amine?
The InChIKey is KBYBXTXCAWAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-4-12-22(13-5-1)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)30-27-20-10-19-26-25(27)18-11-21-29-26/h1-21,30H.
What are the key properties of N-tritylquinolin-5-amine?
N-tritylquinolin-5-amine has a molecular weight of 386.50 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tritylquinolin-5-amine is sourced from PubChem (CID 95560212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).