[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane

C47H38B2 — CID 91459517

IUPAC[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane
SMILESCC1(C)c2cc(C=Cc3ccc(B(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(B(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C47H38B2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-34H,1-2H3
InChIKeyWTWDTPDBSWJRHQ-UHFFFAOYSA-N
MW624.45 g/mol
LogP7.20
Rot. Bonds8

About [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane

[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane (PubChem CID 91459517) has the molecular formula C47H38B2 and a molecular weight of 624.45 g/mol. Its IUPAC name is [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane.

Molecular Properties

Compound Name[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane
PubChem CID91459517
Molecular FormulaC47H38B2
Molecular Weight624.45 g/mol
Exact Mass624.32
IUPAC Name[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane
SMILESCC1(C)c2cc(C=Cc3ccc(B(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(B(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C47H38B2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-34H,1-2H3
InChIKeyWTWDTPDBSWJRHQ-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.45
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane?
The IUPAC name of [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane (CID 91459517) is [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane.
What is the SMILES notation for [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane?
The canonical SMILES for [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane is CC1(C)c2cc(C=Cc3ccc(B(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(B(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane?
The InChIKey is WTWDTPDBSWJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38B2/c1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-34H,1-2H3.
What are the key properties of [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane?
[4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane has a molecular weight of 624.45 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(7-diphenylboranyl-9,9-dimethylfluoren-2-yl)ethenyl]phenyl]-diphenylborane is sourced from PubChem (CID 91459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).