4-anthracen-9-yl-N,N-diphenylaniline

C32H23N — CID 20625761

IUPAC4-anthracen-9-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc1
InChIInChI=1S/C32H23N/c1-3-13-27(14-4-1)33(28-15-5-2-6-16-28)29-21-19-24(20-22-29)32-30-17-9-7-11-25(30)23-26-12-8-10-18-31(26)32/h1-23H
InChIKeyDRPWZABBLUPQSN-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.13
Rot. Bonds4

About 4-anthracen-9-yl-N,N-diphenylaniline

4-anthracen-9-yl-N,N-diphenylaniline (PubChem CID 20625761) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-anthracen-9-yl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-anthracen-9-yl-N,N-diphenylaniline
PubChem CID20625761
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC Name4-anthracen-9-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc1
InChIInChI=1S/C32H23N/c1-3-13-27(14-4-1)33(28-15-5-2-6-16-28)29-21-19-24(20-22-29)32-30-17-9-7-11-25(30)23-26-12-8-10-18-31(26)32/h1-23H
InChIKeyDRPWZABBLUPQSN-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

N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816
4-(4-anthracen-9-ylphenyl)-N,N-bis[4-(4-anthracen-9-ylphenyl)phenyl]aniline
CID 58383851
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
4-anthracen-9-yl-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 121477393
ethane;4-(10-phenanthren-3-ylanthracen-9-yl)-N,N-diphenylaniline
CID 143847474
N,N-diphenyl-4-[4-[11-[4-[4-(N-phenylanilino)phenyl]phenyl]chrysen-5-yl]phenyl]aniline
CID 59987791
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-[4-[1-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166916880
N,N-bis(4-anthracen-9-ylphenyl)phenanthren-1-amine
CID 121285036
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-N,N-diphenylaniline?
The IUPAC name of 4-anthracen-9-yl-N,N-diphenylaniline (CID 20625761) is 4-anthracen-9-yl-N,N-diphenylaniline.
What is the SMILES notation for 4-anthracen-9-yl-N,N-diphenylaniline?
The canonical SMILES for 4-anthracen-9-yl-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc1.
What is the InChIKey of 4-anthracen-9-yl-N,N-diphenylaniline?
The InChIKey is DRPWZABBLUPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-3-13-27(14-4-1)33(28-15-5-2-6-16-28)29-21-19-24(20-22-29)32-30-17-9-7-11-25(30)23-26-12-8-10-18-31(26)32/h1-23H.
What are the key properties of 4-anthracen-9-yl-N,N-diphenylaniline?
4-anthracen-9-yl-N,N-diphenylaniline 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 4-anthracen-9-yl-N,N-diphenylaniline is sourced from PubChem (CID 20625761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).