3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine

C36H40N2 — CID 90136424

IUPAC3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
SMILESNCCCC1(CCCCC2(CCCN)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H40N2/c37-25-11-23-35(31-17-5-1-13-27(31)28-14-2-6-18-32(28)35)21-9-10-22-36(24-12-26-38)33-19-7-3-15-29(33)30-16-4-8-20-34(30)36/h1-8,13-20H,9-12,21-26,37-38H2
InChIKeyUGGGISWDHCYSRK-UHFFFAOYSA-N
MW500.73 g/mol
LogP7.96
Rot. Bonds11

About 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine

3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine (PubChem CID 90136424) has the molecular formula C36H40N2 and a molecular weight of 500.73 g/mol. Its IUPAC name is 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine.

Molecular Properties

Compound Name3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
PubChem CID90136424
Molecular FormulaC36H40N2
Molecular Weight500.73 g/mol
Exact Mass500.32
IUPAC Name3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
SMILESNCCCC1(CCCCC2(CCCN)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H40N2/c37-25-11-23-35(31-17-5-1-13-27(31)28-14-2-6-18-32(28)35)21-9-10-22-36(24-12-26-38)33-19-7-3-15-29(33)30-16-4-8-20-34(30)36/h1-8,13-20H,9-12,21-26,37-38H2
InChIKeyUGGGISWDHCYSRK-UHFFFAOYSA-N
XLogP7.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 57.96
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 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine?
The IUPAC name of 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine (CID 90136424) is 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine.
What is the SMILES notation for 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine?
The canonical SMILES for 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine is NCCCC1(CCCCC2(CCCN)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine?
The InChIKey is UGGGISWDHCYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2/c37-25-11-23-35(31-17-5-1-13-27(31)28-14-2-6-18-32(28)35)21-9-10-22-36(24-12-26-38)33-19-7-3-15-29(33)30-16-4-8-20-34(30)36/h1-8,13-20H,9-12,21-26,37-38H2.
What are the key properties of 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine?
3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine has a molecular weight of 500.73 g/mol, XLogP of 7.96, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine is sourced from PubChem (CID 90136424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).