2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

C44H40N2 — CID 59372269

IUPAC2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccc(C)cc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C)ccc23)cc1
InChIInChI=1S/C44H40N2/c1-29-7-17-35(18-8-29)45(36-19-9-30(2)10-20-36)43-39-25-15-33(5)27-41(39)44(42-28-34(6)16-26-40(42)43)46(37-21-11-31(3)12-22-37)38-23-13-32(4)14-24-38/h7-28H,1-6H3
InChIKeyDKNHFTVJOIVZBM-UHFFFAOYSA-N
MW596.82 g/mol
LogP12.78
Rot. Bonds6

About 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (PubChem CID 59372269) has the molecular formula C44H40N2 and a molecular weight of 596.82 g/mol. Its IUPAC name is 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
PubChem CID59372269
Molecular FormulaC44H40N2
Molecular Weight596.82 g/mol
Exact Mass596.32
IUPAC Name2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c3ccc(C)cc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C)ccc23)cc1
InChIInChI=1S/C44H40N2/c1-29-7-17-35(18-8-29)45(36-19-9-30(2)10-20-36)43-39-25-15-33(5)27-41(39)44(42-28-34(6)16-26-40(42)43)46(37-21-11-31(3)12-22-37)38-23-13-32(4)14-24-38/h7-28H,1-6H3
InChIKeyDKNHFTVJOIVZBM-UHFFFAOYSA-N
XLogP12.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine with MolForge

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Related Compounds

2,3,6-trimethyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 59372305
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine
CID 70882025
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
9-N,10-N-di(anthracen-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane
CID 91523910
9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-2-(1-phenylethyl)anthracene-9,10-diamine
CID 59133348
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(2,4,6-trimethylphenyl)anthracene-9,10-diamine
CID 59372209
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-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
2,6-dimethyl-N,N-diphenyl-10-pyren-1-ylanthracen-9-amine
CID 59294905
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The IUPAC name of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (CID 59372269) is 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is Cc1ccc(N(c2ccc(C)cc2)c2c3ccc(C)cc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C)ccc23)cc1.
What is the InChIKey of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The InChIKey is DKNHFTVJOIVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2/c1-29-7-17-35(18-8-29)45(36-19-9-30(2)10-20-36)43-39-25-15-33(5)27-41(39)44(42-28-34(6)16-26-40(42)43)46(37-21-11-31(3)12-22-37)38-23-13-32(4)14-24-38/h7-28H,1-6H3.
What are the key properties of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine has a molecular weight of 596.82 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 59372269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).