N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine

C42H48BN — CID 22614220

IUPACN-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)C1=Cc2c(-c3ccccc3)cccc2C1B(C1C(C(C)C)=Cc2c(-c3ccccc3)cccc21)N(C(C)C)C(C)C
InChIInChI=1S/C42H48BN/c1-27(2)37-25-39-33(31-17-11-9-12-18-31)21-15-23-35(39)41(37)43(44(29(5)6)30(7)8)42-36-24-16-22-34(32-19-13-10-14-20-32)40(36)26-38(42)28(3)4/h9-30,41-42H,1-8H3
InChIKeyIDOQZNWSIFJJAF-UHFFFAOYSA-N
MW577.67 g/mol
LogP11.18
Rot. Bonds9

About N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine

N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine (PubChem CID 22614220) has the molecular formula C42H48BN and a molecular weight of 577.67 g/mol. Its IUPAC name is N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
PubChem CID22614220
Molecular FormulaC42H48BN
Molecular Weight577.67 g/mol
Exact Mass577.39
IUPAC NameN-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)C1=Cc2c(-c3ccccc3)cccc2C1B(C1C(C(C)C)=Cc2c(-c3ccccc3)cccc21)N(C(C)C)C(C)C
InChIInChI=1S/C42H48BN/c1-27(2)37-25-39-33(31-17-11-9-12-18-31)21-15-23-35(39)41(37)43(44(29(5)6)30(7)8)42-36-24-16-22-34(32-19-13-10-14-20-32)40(36)26-38(42)28(3)4/h9-30,41-42H,1-8H3
InChIKeyIDOQZNWSIFJJAF-UHFFFAOYSA-N
XLogP11.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.67
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1,1-Bis(3-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-N,N-di(propan-2-yl)boranamine
CID 165342402
N-[bis(1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 15875879
2-ethyl-1-[(2-ethyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene
CID 18477474
4-phenyl-2-[2-(4-phenyl-1-propan-2-yl-1H-inden-2-yl)ethyl]-1-propan-2-yl-1H-indene
CID 18755123
7-phenyl-2-[2-(7-phenyl-3-propan-2-yl-1H-inden-2-yl)ethyl]-3-propan-2-yl-1H-indene
CID 20656351
N-[bis(2-methyl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 21982003
N-[bis(2-methyl-4-phenyl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 21982067
N-[bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine
CID 22614218
Bis(2-indenyl)(diisopropylamino)borane
CID 23148929
Tetraethylazanium;tris(4,5-diethylnaphthalen-1-yl)-octylboranuide
CID 23284033
2-methyl-1-[3-(2-methyl-4-phenyl-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 23495489
CID 56981937
CID 56981937

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine (CID 22614220) is N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine is CC(C)C1=Cc2c(-c3ccccc3)cccc2C1B(C1C(C(C)C)=Cc2c(-c3ccccc3)cccc21)N(C(C)C)C(C)C.
What is the InChIKey of N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is IDOQZNWSIFJJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48BN/c1-27(2)37-25-39-33(31-17-11-9-12-18-31)21-15-23-35(39)41(37)43(44(29(5)6)30(7)8)42-36-24-16-22-34(32-19-13-10-14-20-32)40(36)26-38(42)28(3)4/h9-30,41-42H,1-8H3.
What are the key properties of N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine?
N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 577.67 g/mol, XLogP of 11.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-phenyl-2-propan-2-yl-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 22614220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).