2-N-(3-fluorophenyl)chrysene-1,2-diamine

C24H17FN2 — CID 151313786

IUPAC2-N-(3-fluorophenyl)chrysene-1,2-diamine
SMILESNc1c(Nc2cccc(F)c2)ccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C24H17FN2/c25-16-5-3-6-17(14-16)27-23-13-12-21-20-9-8-15-4-1-2-7-18(15)19(20)10-11-22(21)24(23)26/h1-14,27H,26H2
InChIKeyOEZILOQRRKXNSH-UHFFFAOYSA-N
MW352.41 g/mol
LogP6.61
Rot. Bonds2

About 2-N-(3-fluorophenyl)chrysene-1,2-diamine

2-N-(3-fluorophenyl)chrysene-1,2-diamine (PubChem CID 151313786) has the molecular formula C24H17FN2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)chrysene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)chrysene-1,2-diamine
PubChem CID151313786
Molecular FormulaC24H17FN2
Molecular Weight352.41 g/mol
Exact Mass352.14
IUPAC Name2-N-(3-fluorophenyl)chrysene-1,2-diamine
SMILESNc1c(Nc2cccc(F)c2)ccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C24H17FN2/c25-16-5-3-6-17(14-16)27-23-13-12-21-20-9-8-15-4-1-2-7-18(15)19(20)10-11-22(21)24(23)26/h1-14,27H,26H2
InChIKeyOEZILOQRRKXNSH-UHFFFAOYSA-N
XLogP6.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)chrysene-1,2-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)chrysene-1,2-diamine (CID 151313786) is 2-N-(3-fluorophenyl)chrysene-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)chrysene-1,2-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)chrysene-1,2-diamine is Nc1c(Nc2cccc(F)c2)ccc2c1ccc1c3ccccc3ccc21.
What is the InChIKey of 2-N-(3-fluorophenyl)chrysene-1,2-diamine?
The InChIKey is OEZILOQRRKXNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2/c25-16-5-3-6-17(14-16)27-23-13-12-21-20-9-8-15-4-1-2-7-18(15)19(20)10-11-22(21)24(23)26/h1-14,27H,26H2.
What are the key properties of 2-N-(3-fluorophenyl)chrysene-1,2-diamine?
2-N-(3-fluorophenyl)chrysene-1,2-diamine has a molecular weight of 352.41 g/mol, XLogP of 6.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)chrysene-1,2-diamine is sourced from PubChem (CID 151313786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).