6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine

C36H25N — CID 174888728

IUPAC6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
SMILESNc1ccc2c(-c3ccccc3)c(-c3cccc4cc5ccccc5cc34)c(-c3ccccc3)cc2c1
InChIInChI=1S/C36H25N/c37-30-18-19-31-29(21-30)23-34(24-10-3-1-4-11-24)36(35(31)25-12-5-2-6-13-25)32-17-9-16-28-20-26-14-7-8-15-27(26)22-33(28)32/h1-23H,37H2
InChIKeyXENUXPQOEQGIMJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP9.73
Rot. Bonds3

About 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine

6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine (PubChem CID 174888728) has the molecular formula C36H25N and a molecular weight of 471.60 g/mol. Its IUPAC name is 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
PubChem CID174888728
Molecular FormulaC36H25N
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine
SMILESNc1ccc2c(-c3ccccc3)c(-c3cccc4cc5ccccc5cc34)c(-c3ccccc3)cc2c1
InChIInChI=1S/C36H25N/c37-30-18-19-31-29(21-30)23-34(24-10-3-1-4-11-24)36(35(31)25-12-5-2-6-13-25)32-17-9-16-28-20-26-14-7-8-15-27(26)22-33(28)32/h1-23H,37H2
InChIKeyXENUXPQOEQGIMJ-UHFFFAOYSA-N
XLogP9.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 59.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-phenylnaphthalen-2-amine
CID 66729016
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
4-anthracen-1-ylaniline
CID 18974595
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
10-(4-aminophenyl)anthracen-2-amine
CID 59092768
1-(2,3-diphenylphenyl)anthracene
CID 151584978
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 123540167
5-phenylnaphthalene-2,3-diamine
CID 70378591
1-tetracen-5-yltetracene
CID 91610936
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708

Frequently Asked Questions

What is the IUPAC name of 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine?
The IUPAC name of 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine (CID 174888728) is 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine.
What is the SMILES notation for 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine?
The canonical SMILES for 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine is Nc1ccc2c(-c3ccccc3)c(-c3cccc4cc5ccccc5cc34)c(-c3ccccc3)cc2c1.
What is the InChIKey of 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine?
The InChIKey is XENUXPQOEQGIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N/c37-30-18-19-31-29(21-30)23-34(24-10-3-1-4-11-24)36(35(31)25-12-5-2-6-13-25)32-17-9-16-28-20-26-14-7-8-15-27(26)22-33(28)32/h1-23H,37H2.
What are the key properties of 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine?
6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine has a molecular weight of 471.60 g/mol, XLogP of 9.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-1-yl-5,7-diphenylnaphthalen-2-amine is sourced from PubChem (CID 174888728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).