N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline

C27H22N2 — CID 56926132

IUPACN,N-dimethyl-3-(4-phenylacridin-9-yl)aniline
SMILESCN(C)c1cccc(-c2c3ccccc3nc3c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C27H22N2/c1-29(2)21-13-8-12-20(18-21)26-23-14-6-7-17-25(23)28-27-22(15-9-16-24(26)27)19-10-4-3-5-11-19/h3-18H,1-2H3
InChIKeyRPKQZSUVLFUBTD-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.79
Rot. Bonds3

About N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline

N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline (PubChem CID 56926132) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenylacridin-9-yl)aniline
PubChem CID56926132
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC NameN,N-dimethyl-3-(4-phenylacridin-9-yl)aniline
SMILESCN(C)c1cccc(-c2c3ccccc3nc3c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C27H22N2/c1-29(2)21-13-8-12-20(18-21)26-23-14-6-7-17-25(23)28-27-22(15-9-16-24(26)27)19-10-4-3-5-11-19/h3-18H,1-2H3
InChIKeyRPKQZSUVLFUBTD-UHFFFAOYSA-N
XLogP6.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N,6-N,6-N-tetramethyl-9-phenylacridine-3,6-diamine
CID 27795
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
2,4,9-triphenylacridine
CID 132505003
9-phenylacridin-4-ol
CID 59256664
3-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139445967
N-methyl-5-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 163451473
3-(10-naphthalen-1-ylanthracen-9-yl)-N,N-diphenylaniline
CID 164717619
3-acridin-9-ylaniline
CID 87131444
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
2-(3-acridin-9-ylphenyl)-9-(3-naphthalen-1-ylphenyl)-1,10-phenanthroline
CID 134167787
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
2-[3-(dimethylamino)phenyl]benzoic acid
CID 39226074

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline?
The IUPAC name of N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline (CID 56926132) is N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline.
What is the SMILES notation for N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline?
The canonical SMILES for N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline is CN(C)c1cccc(-c2c3ccccc3nc3c(-c4ccccc4)cccc23)c1.
What is the InChIKey of N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline?
The InChIKey is RPKQZSUVLFUBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-29(2)21-13-8-12-20(18-21)26-23-14-6-7-17-25(23)28-27-22(15-9-16-24(26)27)19-10-4-3-5-11-19/h3-18H,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline?
N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline has a molecular weight of 374.49 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline is sourced from PubChem (CID 56926132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).