1-phenanthren-9-ylnaphthalen-2-amine

C24H17N — CID 102311006

IUPAC1-phenanthren-9-ylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C24H17N/c25-23-14-13-16-7-1-4-10-19(16)24(23)22-15-17-8-2-3-9-18(17)20-11-5-6-12-21(20)22/h1-15H,25H2
InChIKeyIKQDUVRBDHOIHC-UHFFFAOYSA-N
MW319.41 g/mol
LogP6.40
Rot. Bonds1

About 1-phenanthren-9-ylnaphthalen-2-amine

1-phenanthren-9-ylnaphthalen-2-amine (PubChem CID 102311006) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-phenanthren-9-ylnaphthalen-2-amine.

Molecular Properties

Compound Name1-phenanthren-9-ylnaphthalen-2-amine
PubChem CID102311006
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name1-phenanthren-9-ylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C24H17N/c25-23-14-13-16-7-1-4-10-19(16)24(23)22-15-17-8-2-3-9-18(17)20-11-5-6-12-21(20)22/h1-15H,25H2
InChIKeyIKQDUVRBDHOIHC-UHFFFAOYSA-N
XLogP6.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-phenanthren-9-ylnaphthalen-2-amine?
The IUPAC name of 1-phenanthren-9-ylnaphthalen-2-amine (CID 102311006) is 1-phenanthren-9-ylnaphthalen-2-amine.
What is the SMILES notation for 1-phenanthren-9-ylnaphthalen-2-amine?
The canonical SMILES for 1-phenanthren-9-ylnaphthalen-2-amine is Nc1ccc2ccccc2c1-c1cc2ccccc2c2ccccc12.
What is the InChIKey of 1-phenanthren-9-ylnaphthalen-2-amine?
The InChIKey is IKQDUVRBDHOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c25-23-14-13-16-7-1-4-10-19(16)24(23)22-15-17-8-2-3-9-18(17)20-11-5-6-12-21(20)22/h1-15H,25H2.
What are the key properties of 1-phenanthren-9-ylnaphthalen-2-amine?
1-phenanthren-9-ylnaphthalen-2-amine has a molecular weight of 319.41 g/mol, XLogP of 6.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-9-ylnaphthalen-2-amine is sourced from PubChem (CID 102311006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).