[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane

C55H40B2 — CID 58795276

IUPAC[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane
SMILESc1ccc(B(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(-c4ccccc4)cc2)c2cc(B(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C55H40B2/c1-7-19-41(20-8-1)42-31-33-44(34-32-42)55(43-21-9-2-10-22-43)53-39-49(56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)35-37-51(53)52-38-36-50(40-54(52)55)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H
InChIKeyJYXNPDHVZIHOLC-UHFFFAOYSA-N
MW722.55 g/mol
LogP8.75
Rot. Bonds9

About [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane

[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane (PubChem CID 58795276) has the molecular formula C55H40B2 and a molecular weight of 722.55 g/mol. Its IUPAC name is [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane.

Molecular Properties

Compound Name[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane
PubChem CID58795276
Molecular FormulaC55H40B2
Molecular Weight722.55 g/mol
Exact Mass722.33
IUPAC Name[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane
SMILESc1ccc(B(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(-c4ccccc4)cc2)c2cc(B(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C55H40B2/c1-7-19-41(20-8-1)42-31-33-44(34-32-42)55(43-21-9-2-10-22-43)53-39-49(56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)35-37-51(53)52-38-36-50(40-54(52)55)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H
InChIKeyJYXNPDHVZIHOLC-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.55
LogP ≤ 58.75
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

[4-[7-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-9,9-diphenylfluoren-2-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 102599898
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
2-iodo-7,9,9-triphenylfluorene
CID 149383994
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline
CID 121460980

Frequently Asked Questions

What is the IUPAC name of [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane?
The IUPAC name of [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane (CID 58795276) is [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane.
What is the SMILES notation for [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane?
The canonical SMILES for [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane is c1ccc(B(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(-c4ccccc4)cc2)c2cc(B(c4ccccc4)c4ccccc4)ccc2-3)cc1.
What is the InChIKey of [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane?
The InChIKey is JYXNPDHVZIHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40B2/c1-7-19-41(20-8-1)42-31-33-44(34-32-42)55(43-21-9-2-10-22-43)53-39-49(56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)35-37-51(53)52-38-36-50(40-54(52)55)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-40H.
What are the key properties of [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane?
[7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane has a molecular weight of 722.55 g/mol, XLogP of 8.75, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [7-diphenylboranyl-9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]-diphenylborane is sourced from PubChem (CID 58795276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).