cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane

C20H17B — CID 131721399

IUPACcyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane
SMILESC1=CC(B(c2ccccc2)C2C=Cc3ccccc32)C=C1
InChIInChI=1S/C20H17B/c1-2-9-17(10-3-1)21(18-11-5-6-12-18)20-15-14-16-8-4-7-13-19(16)20/h1-15,18,20H
InChIKeyKERSPVSPIIPQGP-UHFFFAOYSA-N
MW268.17 g/mol
LogP4.23
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane

cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane (PubChem CID 131721399) has the molecular formula C20H17B and a molecular weight of 268.17 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane
PubChem CID131721399
Molecular FormulaC20H17B
Molecular Weight268.17 g/mol
Exact Mass268.14
IUPAC Namecyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane
SMILESC1=CC(B(c2ccccc2)C2C=Cc3ccccc32)C=C1
InChIInChI=1S/C20H17B/c1-2-9-17(10-3-1)21(18-11-5-6-12-18)20-15-14-16-8-4-7-13-19(16)20/h1-15,18,20H
InChIKeyKERSPVSPIIPQGP-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 54.23
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-1,2,4-trien-1-yl-bis(1H-inden-1-yl)borane
CID 177429628
N-[dimethylamino(1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 15872798
1-methanidyl-1H-indene;zirconium
CID 172710761
1-[[bis(trimethylsilyl)amino]-(1H-inden-1-yl)boranyl]-1H-indene
CID 12011470
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
(1S)-1-phenyl-1H-indene
CID 86309914
1H-inden-1-amine
CID 14298803
(5R)-5H-benzo[7]annulen-5-amine
CID 101144448
hydron;1H-inden-1-ol
CID 174812636
CID 10809432
CID 10809432
CID 119077465
CID 119077465
tetrakis(1H-inden-1-yl)silane
CID 18688182

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane?
The IUPAC name of cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane (CID 131721399) is cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane is C1=CC(B(c2ccccc2)C2C=Cc3ccccc32)C=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane?
The InChIKey is KERSPVSPIIPQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17B/c1-2-9-17(10-3-1)21(18-11-5-6-12-18)20-15-14-16-8-4-7-13-19(16)20/h1-15,18,20H.
What are the key properties of cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane?
cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane has a molecular weight of 268.17 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-(1H-inden-1-yl)-phenylborane is sourced from PubChem (CID 131721399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).