2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine

C26H16ClN3 — CID 147566258

IUPAC2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine
SMILESClc1cc(Nc2cccc3c2ncc2ccccc23)c2ncc3ccccc3c2c1
InChIInChI=1S/C26H16ClN3/c27-18-12-22-20-9-4-2-7-17(20)15-29-26(22)24(13-18)30-23-11-5-10-21-19-8-3-1-6-16(19)14-28-25(21)23/h1-15,30H
InChIKeyDBCFJSAUIAMCFP-UHFFFAOYSA-N
MW405.89 g/mol
LogP7.49
Rot. Bonds2

About 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine

2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine (PubChem CID 147566258) has the molecular formula C26H16ClN3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine
PubChem CID147566258
Molecular FormulaC26H16ClN3
Molecular Weight405.89 g/mol
Exact Mass405.10
IUPAC Name2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine
SMILESClc1cc(Nc2cccc3c2ncc2ccccc23)c2ncc3ccccc3c2c1
InChIInChI=1S/C26H16ClN3/c27-18-12-22-20-9-4-2-7-17(20)15-29-26(22)24(13-18)30-23-11-5-10-21-19-8-3-1-6-16(19)14-28-25(21)23/h1-15,30H
InChIKeyDBCFJSAUIAMCFP-UHFFFAOYSA-N
XLogP7.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfanylphenanthridine
CID 56651512
2-tert-butyl-N-[5-tert-butyl-2-(methylideneamino)-3-(2-methylphenyl)phenyl]phenanthridin-4-amine
CID 147361697
3-bromo-N-phenylquinolin-8-amine
CID 86754991
tri(phenanthridin-4-yloxy)alumane
CID 24943485
4-chloro-N-phenylisoquinolin-3-amine
CID 91102388
2-N-(4-chlorophenyl)-3-N-naphthalen-1-ylquinoxaline-2,3-diamine
CID 143894393
3,4-dichloroisoquinoline
CID 91477287
phenanthridine
CID 9189
1-chloro-N-naphthalen-1-ylnaphthalen-2-amine
CID 155635365
2-N-(3-bromoquinolin-8-yl)-5-chloropyridine-2,3-diamine
CID 116783085
phenanthridine;platinum(2+)
CID 23616726
3-chloroisoquinolin-4-amine
CID 10631181

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine?
The IUPAC name of 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine (CID 147566258) is 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine.
What is the SMILES notation for 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine?
The canonical SMILES for 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine is Clc1cc(Nc2cccc3c2ncc2ccccc23)c2ncc3ccccc3c2c1.
What is the InChIKey of 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine?
The InChIKey is DBCFJSAUIAMCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16ClN3/c27-18-12-22-20-9-4-2-7-17(20)15-29-26(22)24(13-18)30-23-11-5-10-21-19-8-3-1-6-16(19)14-28-25(21)23/h1-15,30H.
What are the key properties of 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine?
2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine has a molecular weight of 405.89 g/mol, XLogP of 7.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenanthridin-4-ylphenanthridin-4-amine is sourced from PubChem (CID 147566258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).