cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane

C23H17B — CID 177429628

IUPACcyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane
SMILESC1=CC=CC=1B(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C23H17B/c1-5-11-20-17(7-1)13-15-22(20)24(19-9-3-4-10-19)23-16-14-18-8-2-6-12-21(18)23/h1-9,11-16,22-23H
InChIKeySVQRVOJXCNCCEO-UHFFFAOYSA-N
MW304.20 g/mol
LogP5.37
Rot. Bonds3

About cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane

cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane (PubChem CID 177429628) has the molecular formula C23H17B and a molecular weight of 304.20 g/mol. Its IUPAC name is cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane.

Molecular Properties

Compound Namecyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane
PubChem CID177429628
Molecular FormulaC23H17B
Molecular Weight304.20 g/mol
Exact Mass304.14
IUPAC Namecyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane
SMILESC1=CC=CC=1B(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C23H17B/c1-5-11-20-17(7-1)13-15-22(20)24(19-9-3-4-10-19)23-16-14-18-8-2-6-12-21(18)23/h1-9,11-16,22-23H
InChIKeySVQRVOJXCNCCEO-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.20
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane
CID 131721399
N-[dimethylamino(1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 15872798
1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene
CID 12011470
1-methanidyl-1H-indene;zirconium
CID 172710761
1H-inden-1-amine
CID 14298803
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
tetrakis(1H-inden-1-yl)silane
CID 18688182
hydron;1H-inden-1-ol
CID 174812636
CID 10809432
CID 10809432
CID 119077465
CID 119077465
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane?
The IUPAC name of cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane (CID 177429628) is cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane.
What is the SMILES notation for cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane?
The canonical SMILES for cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane is C1=CC=CC=1B(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane?
The InChIKey is SVQRVOJXCNCCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17B/c1-5-11-20-17(7-1)13-15-22(20)24(19-9-3-4-10-19)23-16-14-18-8-2-6-12-21(18)23/h1-9,11-16,22-23H.
What are the key properties of cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane?
cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane has a molecular weight of 304.20 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane is sourced from PubChem (CID 177429628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).