CID 164799746

C25H18BO2 — CID 164799746

IUPAC—
SMILESO[B]Oc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18BO2/c27-26-28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)25(24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27H
InChIKeyCEJIIOZOLPRKIF-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.95
Rot. Bonds4

About CID 164799746

CID 164799746 (PubChem CID 164799746) has the molecular formula C25H18BO2 and a molecular weight of 361.23 g/mol.

Molecular Properties

Compound NameCID 164799746
PubChem CID164799746
Molecular FormulaC25H18BO2
Molecular Weight361.23 g/mol
Exact Mass361.14
IUPAC Name—
SMILESO[B]Oc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H18BO2/c27-26-28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)25(24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27H
InChIKeyCEJIIOZOLPRKIF-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methoxymethane
CID 143139467
3,9,9-triphenylfluorene
CID 140844354
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
9,9-diphenylfluorene;propane
CID 158205050
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
CID 161216648
CID 161216648
9,9-bis[4-(2-aminophenoxy)phenyl]fluorene-3-carboxylic acid
CID 139816339

Frequently Asked Questions

What is the IUPAC name of CID 164799746?
The IUPAC name of CID 164799746 (CID 164799746) is not available.
What is the SMILES notation for CID 164799746?
The canonical SMILES for CID 164799746 is O[B]Oc1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 164799746?
The InChIKey is CEJIIOZOLPRKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BO2/c27-26-28-20-15-16-24-22(17-20)21-13-7-8-14-23(21)25(24,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,27H.
What are the key properties of CID 164799746?
CID 164799746 has a molecular weight of 361.23 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164799746 is sourced from PubChem (CID 164799746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).