2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine

C56H64N2 — CID 89058632

IUPAC2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
SMILESCCC(C)CCCCCCc1ccc2c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C56H64N2/c1-9-41(6)16-12-10-11-13-17-44-24-37-53-54(38-44)56(58(48-31-22-43(8)23-32-48)50-35-27-46(28-36-50)40(4)5)52-19-15-14-18-51(52)55(53)57(47-29-20-42(7)21-30-47)49-33-25-45(26-34-49)39(2)3/h14-15,18-41H,9-13,16-17H2,1-8H3
InChIKeyAOEAHJRAFOOPPU-UHFFFAOYSA-N
MW765.14 g/mol
LogP17.34
Rot. Bonds16

About 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine

2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine (PubChem CID 89058632) has the molecular formula C56H64N2 and a molecular weight of 765.14 g/mol. Its IUPAC name is 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
PubChem CID89058632
Molecular FormulaC56H64N2
Molecular Weight765.14 g/mol
Exact Mass764.51
IUPAC Name2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
SMILESCCC(C)CCCCCCc1ccc2c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C56H64N2/c1-9-41(6)16-12-10-11-13-17-44-24-37-53-54(38-44)56(58(48-31-22-43(8)23-32-48)50-35-27-46(28-36-50)40(4)5)52-19-15-14-18-51(52)55(53)57(47-29-20-42(7)21-30-47)49-33-25-45(26-34-49)39(2)3/h14-15,18-41H,9-13,16-17H2,1-8H3
InChIKeyAOEAHJRAFOOPPU-UHFFFAOYSA-N
XLogP17.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.14
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
The IUPAC name of 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine (CID 89058632) is 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine is CCC(C)CCCCCCc1ccc2c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C(C)C)cc3)c2c1.
What is the InChIKey of 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
The InChIKey is AOEAHJRAFOOPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N2/c1-9-41(6)16-12-10-11-13-17-44-24-37-53-54(38-44)56(58(48-31-22-43(8)23-32-48)50-35-27-46(28-36-50)40(4)5)52-19-15-14-18-51(52)55(53)57(47-29-20-42(7)21-30-47)49-33-25-45(26-34-49)39(2)3/h14-15,18-41H,9-13,16-17H2,1-8H3.
What are the key properties of 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine?
2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine has a molecular weight of 765.14 g/mol, XLogP of 17.34, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnonyl)-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 89058632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).