10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine

C30H23N — CID 135243477

IUPAC10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine
SMILESC#Cc1c2ccccc2c(N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C30H23N/c1-4-25-26-9-5-7-11-28(26)30(29-12-8-6-10-27(25)29)31(23-17-13-21(2)14-18-23)24-19-15-22(3)16-20-24/h1,5-20H,2-3H3
InChIKeyLSEAANUTELNUKO-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.06
Rot. Bonds3

About 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine

10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine (PubChem CID 135243477) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine.

Molecular Properties

Compound Name10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine
PubChem CID135243477
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine
SMILESC#Cc1c2ccccc2c(N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C30H23N/c1-4-25-26-9-5-7-11-28(26)30(29-12-8-6-10-27(25)29)31(23-17-13-21(2)14-18-23)24-19-15-22(3)16-20-24/h1,5-20H,2-3H3
InChIKeyLSEAANUTELNUKO-UHFFFAOYSA-N
XLogP8.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;10-ethynyl-N,N-diphenylanthracen-9-amine
CID 145120121
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
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
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 59372269
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061
10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
CID 159224504

Frequently Asked Questions

What is the IUPAC name of 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine?
The IUPAC name of 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine (CID 135243477) is 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine.
What is the SMILES notation for 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine?
The canonical SMILES for 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine is C#Cc1c2ccccc2c(N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine?
The InChIKey is LSEAANUTELNUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-4-25-26-9-5-7-11-28(26)30(29-12-8-6-10-27(25)29)31(23-17-13-21(2)14-18-23)24-19-15-22(3)16-20-24/h1,5-20H,2-3H3.
What are the key properties of 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine?
10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine has a molecular weight of 397.52 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine is sourced from PubChem (CID 135243477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).