N-(4-anthracen-9-ylphenyl)-4-phenylaniline

C32H23N — CID 134240819

IUPACN-(4-anthracen-9-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C32H23N/c1-2-8-23(9-3-1)24-14-18-28(19-15-24)33-29-20-16-25(17-21-29)32-30-12-6-4-10-26(30)22-27-11-5-7-13-31(27)32/h1-22,33H
InChIKeyMNQHEQQSNLHGHQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.07
Rot. Bonds4

About N-(4-anthracen-9-ylphenyl)-4-phenylaniline

N-(4-anthracen-9-ylphenyl)-4-phenylaniline (PubChem CID 134240819) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(4-anthracen-9-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(4-anthracen-9-ylphenyl)-4-phenylaniline
PubChem CID134240819
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC NameN-(4-anthracen-9-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C32H23N/c1-2-8-23(9-3-1)24-14-18-28(19-15-24)33-29-20-16-25(17-21-29)32-30-12-6-4-10-26(30)22-27-11-5-7-13-31(27)32/h1-22,33H
InChIKeyMNQHEQQSNLHGHQ-UHFFFAOYSA-N
XLogP9.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
N,10-diphenylanthracen-1-amine
CID 135183397
CID 88964957
CID 88964957
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878

Frequently Asked Questions

What is the IUPAC name of N-(4-anthracen-9-ylphenyl)-4-phenylaniline?
The IUPAC name of N-(4-anthracen-9-ylphenyl)-4-phenylaniline (CID 134240819) is N-(4-anthracen-9-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-(4-anthracen-9-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-(4-anthracen-9-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(Nc3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-anthracen-9-ylphenyl)-4-phenylaniline?
The InChIKey is MNQHEQQSNLHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-2-8-23(9-3-1)24-14-18-28(19-15-24)33-29-20-16-25(17-21-29)32-30-12-6-4-10-26(30)22-27-11-5-7-13-31(27)32/h1-22,33H.
What are the key properties of N-(4-anthracen-9-ylphenyl)-4-phenylaniline?
N-(4-anthracen-9-ylphenyl)-4-phenylaniline has a molecular weight of 421.54 g/mol, XLogP of 9.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anthracen-9-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 134240819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).