N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine

C30H30B2N2 — CID 11826984

IUPACN-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine
SMILESCN(C)B(B(C1c2ccccc2-c2ccccc21)N(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H30B2N2/c1-33(2)31(29-25-17-9-5-13-21(25)22-14-6-10-18-26(22)29)32(34(3)4)30-27-19-11-7-15-23(27)24-16-8-12-20-28(24)30/h5-20,29-30H,1-4H3
InChIKeyWUEMTWCBACQVFJ-UHFFFAOYSA-N
MW440.21 g/mol
LogP5.87
Rot. Bonds5

About N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine

N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine (PubChem CID 11826984) has the molecular formula C30H30B2N2 and a molecular weight of 440.21 g/mol. Its IUPAC name is N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine
PubChem CID11826984
Molecular FormulaC30H30B2N2
Molecular Weight440.21 g/mol
Exact Mass440.26
IUPAC NameN-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine
SMILESCN(C)B(B(C1c2ccccc2-c2ccccc21)N(C)C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H30B2N2/c1-33(2)31(29-25-17-9-5-13-21(25)22-14-6-10-18-26(22)29)32(34(3)4)30-27-19-11-7-15-23(27)24-16-8-12-20-28(24)30/h5-20,29-30H,1-4H3
InChIKeyWUEMTWCBACQVFJ-UHFFFAOYSA-N
XLogP5.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.21
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine?
The IUPAC name of N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine (CID 11826984) is N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine.
What is the SMILES notation for N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine?
The canonical SMILES for N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine is CN(C)B(B(C1c2ccccc2-c2ccccc21)N(C)C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine?
The InChIKey is WUEMTWCBACQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30B2N2/c1-33(2)31(29-25-17-9-5-13-21(25)22-14-6-10-18-26(22)29)32(34(3)4)30-27-19-11-7-15-23(27)24-16-8-12-20-28(24)30/h5-20,29-30H,1-4H3.
What are the key properties of N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine?
N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine has a molecular weight of 440.21 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethylamino(9H-fluoren-9-yl)boranyl]-(9H-fluoren-9-yl)boranyl]-N-methylmethanamine is sourced from PubChem (CID 11826984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).