N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine

C32H32N2 — CID 10114432

IUPACN,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine
SMILESc1ccc2c(c1)Cc1cc(CNCCCCNCc3ccc4c(c3)Cc3ccccc3-4)ccc1-2
InChIInChI=1S/C32H32N2/c1-3-9-29-25(7-1)19-27-17-23(11-13-31(27)29)21-33-15-5-6-16-34-22-24-12-14-32-28(18-24)20-26-8-2-4-10-30(26)32/h1-4,7-14,17-18,33-34H,5-6,15-16,19-22H2
InChIKeyUYVQIRZDKXJWGH-UHFFFAOYSA-N
MW444.62 g/mol
LogP6.49
Rot. Bonds9

About N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine

N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine (PubChem CID 10114432) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine
PubChem CID10114432
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC NameN,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine
SMILESc1ccc2c(c1)Cc1cc(CNCCCCNCc3ccc4c(c3)Cc3ccccc3-4)ccc1-2
InChIInChI=1S/C32H32N2/c1-3-9-29-25(7-1)19-27-17-23(11-13-31(27)29)21-33-15-5-6-16-34-22-24-12-14-32-28(18-24)20-26-8-2-4-10-30(26)32/h1-4,7-14,17-18,33-34H,5-6,15-16,19-22H2
InChIKeyUYVQIRZDKXJWGH-UHFFFAOYSA-N
XLogP6.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine (CID 10114432) is N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine is c1ccc2c(c1)Cc1cc(CNCCCCNCc3ccc4c(c3)Cc3ccccc3-4)ccc1-2.
What is the InChIKey of N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine?
The InChIKey is UYVQIRZDKXJWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2/c1-3-9-29-25(7-1)19-27-17-23(11-13-31(27)29)21-33-15-5-6-16-34-22-24-12-14-32-28(18-24)20-26-8-2-4-10-30(26)32/h1-4,7-14,17-18,33-34H,5-6,15-16,19-22H2.
What are the key properties of N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine?
N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine has a molecular weight of 444.62 g/mol, XLogP of 6.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(9H-fluoren-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 10114432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).