1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine

C46H44N2 — CID 59303959

About 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine

1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine (PubChem CID 59303959) has the molecular formula C46H44N2 and a molecular weight of 624.87 g/mol. Its IUPAC name is 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine.

Molecular Properties

• Compound Name: 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
• PubChem CID: 59303959
• Molecular Formula: C46H44N2
• Molecular Weight: 624.87 g/mol
• Exact Mass: 624.35
• IUPAC Name: 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
• SMILES: Cc1c(N(c2ccccc2)c2ccccc2)c(C)c2c(C)c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3c(C)c2c1C
• InChI: InChI=1S/C46H44N2/c1-29-31(3)45(47(37-21-13-9-14-22-37)38-23-15-10-16-24-38)35(7)43-34(6)42-30(2)32(4)46(36(8)44(42)33(5)41(29)43)48(39-25-17-11-18-26-39)40-27-19-12-20-28-40/h9-28H,1-8H3
• InChIKey: FGUWXLNVMLGOLN-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.87
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?

The IUPAC name of 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine (CID 59303959) is 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine.

What is the SMILES notation for 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?

The canonical SMILES for 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine is Cc1c(N(c2ccccc2)c2ccccc2)c(C)c2c(C)c3c(C)c(C)c(N(c4ccccc4)c4ccccc4)c(C)c3c(C)c2c1C.

What is the InChIKey of 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?

The InChIKey is FGUWXLNVMLGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2/c1-29-31(3)45(47(37-21-13-9-14-22-37)38-23-15-10-16-24-38)35(7)43-34(6)42-30(2)32(4)46(36(8)44(42)33(5)41(29)43)48(39-25-17-11-18-26-39)40-27-19-12-20-28-40/h9-28H,1-8H3.

What are the key properties of 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine?

1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine has a molecular weight of 624.87 g/mol, XLogP of 13.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine is sourced from PubChem (CID 59303959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).