N-phenyl-N-(2-phenylphenyl)anthracen-9-amine

C32H23N — CID 22630557

IUPACN-phenyl-N-(2-phenylphenyl)anthracen-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C32H23N/c1-3-13-24(14-4-1)28-19-11-12-22-31(28)33(27-17-5-2-6-18-27)32-29-20-9-7-15-25(29)23-26-16-8-10-21-30(26)32/h1-23H
InChIKeyXUUJSQNZFJMLHV-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.13
Rot. Bonds4

About N-phenyl-N-(2-phenylphenyl)anthracen-9-amine

N-phenyl-N-(2-phenylphenyl)anthracen-9-amine (PubChem CID 22630557) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)anthracen-9-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)anthracen-9-amine
PubChem CID22630557
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC NameN-phenyl-N-(2-phenylphenyl)anthracen-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C32H23N/c1-3-13-24(14-4-1)28-19-11-12-22-31(28)33(27-17-5-2-6-18-27)32-29-20-9-7-15-25(29)23-26-16-8-10-21-30(26)32/h1-23H
InChIKeyXUUJSQNZFJMLHV-UHFFFAOYSA-N
XLogP9.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303869
1-N,2-N-di(anthracen-1-yl)-1-N,2-N-diphenyl-3-(4-phenylphenyl)benzene-1,2-diamine
CID 18680487
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 159472153
N-anthracen-9-yl-5-[5-(N-anthracen-9-ylanilino)-3-phenylthiophen-2-yl]-N,4-diphenylthiophen-2-amine
CID 101133579
4-N',4-N',5-N-triphenyl-5-N-(2-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-4',5-diamine
CID 168775272
4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
CID 121322882
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-phenyl-N-(2-phenylphenyl)perylen-2-amine
CID 22013256
10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155305179
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)anthracen-9-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)anthracen-9-amine (CID 22630557) is N-phenyl-N-(2-phenylphenyl)anthracen-9-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)anthracen-9-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)anthracen-9-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)anthracen-9-amine?
The InChIKey is XUUJSQNZFJMLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-3-13-24(14-4-1)28-19-11-12-22-31(28)33(27-17-5-2-6-18-27)32-29-20-9-7-15-25(29)23-26-16-8-10-21-30(26)32/h1-23H.
What are the key properties of N-phenyl-N-(2-phenylphenyl)anthracen-9-amine?
N-phenyl-N-(2-phenylphenyl)anthracen-9-amine has a molecular weight of 421.54 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)anthracen-9-amine is sourced from PubChem (CID 22630557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).