N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine

C24H19N — CID 145280456

IUPACN-cyclohexa-1,5-dien-1-yltriphenylen-1-amine
SMILESC1=CC(Nc2cccc3c4ccccc4c4ccccc4c23)=CCC1
InChIInChI=1S/C24H19N/c1-2-9-17(10-3-1)25-23-16-8-15-22-20-12-5-4-11-18(20)19-13-6-7-14-21(19)24(22)23/h2,4-16,25H,1,3H2
InChIKeyVUXIRURXOMBVPH-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.79
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine

N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine (PubChem CID 145280456) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yltriphenylen-1-amine
PubChem CID145280456
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC NameN-cyclohexa-1,5-dien-1-yltriphenylen-1-amine
SMILESC1=CC(Nc2cccc3c4ccccc4c4ccccc4c23)=CCC1
InChIInChI=1S/C24H19N/c1-2-9-17(10-3-1)25-23-16-8-15-22-20-12-5-4-11-18(20)19-13-6-7-14-21(19)24(22)23/h2,4-16,25H,1,3H2
InChIKeyVUXIRURXOMBVPH-UHFFFAOYSA-N
XLogP6.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.79
H-Bond Donors ≤ 51
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-cyclohexa-1,5-dien-1-yltriphenylen-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine (CID 145280456) is N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine is C1=CC(Nc2cccc3c4ccccc4c4ccccc4c23)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine?
The InChIKey is VUXIRURXOMBVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c1-2-9-17(10-3-1)25-23-16-8-15-22-20-12-5-4-11-18(20)19-13-6-7-14-21(19)24(22)23/h2,4-16,25H,1,3H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine?
N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine has a molecular weight of 321.42 g/mol, XLogP of 6.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yltriphenylen-1-amine is sourced from PubChem (CID 145280456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).