N-(3-methylphenyl)-N-phenylanthracen-9-amine

C27H21N — CID 22976643

IUPACN-(3-methylphenyl)-N-phenylanthracen-9-amine
SMILESCc1cccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C27H21N/c1-20-10-9-15-24(18-20)28(23-13-3-2-4-14-23)27-25-16-7-5-11-21(25)19-22-12-6-8-17-26(22)27/h2-19H,1H3
InChIKeyOBGIXNOKWYKAIA-UHFFFAOYSA-N
MW359.47 g/mol
LogP7.77
Rot. Bonds3

About N-(3-methylphenyl)-N-phenylanthracen-9-amine

N-(3-methylphenyl)-N-phenylanthracen-9-amine (PubChem CID 22976643) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-phenylanthracen-9-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-phenylanthracen-9-amine
PubChem CID22976643
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC NameN-(3-methylphenyl)-N-phenylanthracen-9-amine
SMILESCc1cccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C27H21N/c1-20-10-9-15-24(18-20)28(23-13-3-2-4-14-23)27-25-16-7-5-11-21(25)19-22-12-6-8-17-26(22)27/h2-19H,1H3
InChIKeyOBGIXNOKWYKAIA-UHFFFAOYSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.77
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

5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)phenanthrene-9,10-diamine
CID 20734448
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
9-N,9-N,10-N,10-N-tetrakis(3,4-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 158542948
9-N,10-N-di(anthracen-9-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372255
5-N-(3-methylphenyl)-11-N-(4-methylphenyl)-11-N-naphthalen-1-yl-5-N-naphthalen-2-yltetracene-5,11-diamine
CID 23393545
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
[3-(N-anthracen-9-ylanilino)phenyl]methanol
CID 139983979
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
CID 18941763
9-N-anthracen-9-yl-2,3,6-trimethyl-10-N-naphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372294

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-phenylanthracen-9-amine?
The IUPAC name of N-(3-methylphenyl)-N-phenylanthracen-9-amine (CID 22976643) is N-(3-methylphenyl)-N-phenylanthracen-9-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-phenylanthracen-9-amine?
The canonical SMILES for N-(3-methylphenyl)-N-phenylanthracen-9-amine is Cc1cccc(N(c2ccccc2)c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-N-phenylanthracen-9-amine?
The InChIKey is OBGIXNOKWYKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-20-10-9-15-24(18-20)28(23-13-3-2-4-14-23)27-25-16-7-5-11-21(25)19-22-12-6-8-17-26(22)27/h2-19H,1H3.
What are the key properties of N-(3-methylphenyl)-N-phenylanthracen-9-amine?
N-(3-methylphenyl)-N-phenylanthracen-9-amine has a molecular weight of 359.47 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-phenylanthracen-9-amine is sourced from PubChem (CID 22976643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).