2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine

C44H42N2 — CID 70882025

IUPAC2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine
SMILESCC1=CCc2c(c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C)ccc3c2N(c2ccc(C)cc2)c2ccc(C)cc2)C1
InChIInChI=1S/C44H42N2/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/h7-25,27H,26,28H2,1-6H3
InChIKeyUHEXYKBYXBBTEL-UHFFFAOYSA-N
MW598.83 g/mol
LogP12.37
Rot. Bonds6

About 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine

2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine (PubChem CID 70882025) has the molecular formula C44H42N2 and a molecular weight of 598.83 g/mol. Its IUPAC name is 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine.

Molecular Properties

Compound Name2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine
PubChem CID70882025
Molecular FormulaC44H42N2
Molecular Weight598.83 g/mol
Exact Mass598.33
IUPAC Name2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine
SMILESCC1=CCc2c(c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C)ccc3c2N(c2ccc(C)cc2)c2ccc(C)cc2)C1
InChIInChI=1S/C44H42N2/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/h7-25,27H,26,28H2,1-6H3
InChIKeyUHEXYKBYXBBTEL-UHFFFAOYSA-N
XLogP12.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine?
The IUPAC name of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine (CID 70882025) is 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine.
What is the SMILES notation for 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine?
The canonical SMILES for 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine is CC1=CCc2c(c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(C)ccc3c2N(c2ccc(C)cc2)c2ccc(C)cc2)C1.
What is the InChIKey of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine?
The InChIKey is UHEXYKBYXBBTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2/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/h7-25,27H,26,28H2,1-6H3.
What are the key properties of 2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine?
2,7-dimethyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-1,4-dihydroanthracene-9,10-diamine has a molecular weight of 598.83 g/mol, XLogP of 12.37, 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)-1,4-dihydroanthracene-9,10-diamine is sourced from PubChem (CID 70882025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).