CID 123871817

C25H14B3 — CID 123871817

IUPAC—
SMILES[B][B]c1ccc2c(c1)-c1cc([B])ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H14B3/c26-15-9-11-23-19(13-15)20-14-16(28-27)10-12-24(20)25(23)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
InChIKeyHKJUBRNQYXHQFV-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.24
Rot. Bonds1

About CID 123871817

CID 123871817 (PubChem CID 123871817) has the molecular formula C25H14B3 and a molecular weight of 346.82 g/mol.

Molecular Properties

Compound NameCID 123871817
PubChem CID123871817
Molecular FormulaC25H14B3
Molecular Weight346.82 g/mol
Exact Mass347.14
IUPAC Name—
SMILES[B][B]c1ccc2c(c1)-c1cc([B])ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H14B3/c26-15-9-11-23-19(13-15)20-14-16(28-27)10-12-24(20)25(23)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
InChIKeyHKJUBRNQYXHQFV-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.24
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

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3,3'-diphenyl-9,9'-spirobi[fluorene]
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CID 130265363
spiro[benzo[b]fluorene-11,9'-fluorene]
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methane;3-phenyl-9,9'-spirobi[fluorene]
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3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
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2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
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9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
[2-[9-(2-methylsulfonyloxyphenyl)fluoren-9-yl]phenyl] methanesulfonate
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Frequently Asked Questions

What is the IUPAC name of CID 123871817?
The IUPAC name of CID 123871817 (CID 123871817) is not available.
What is the SMILES notation for CID 123871817?
The canonical SMILES for CID 123871817 is [B][B]c1ccc2c(c1)-c1cc([B])ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of CID 123871817?
The InChIKey is HKJUBRNQYXHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14B3/c26-15-9-11-23-19(13-15)20-14-16(28-27)10-12-24(20)25(23)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H.
What are the key properties of CID 123871817?
CID 123871817 has a molecular weight of 346.82 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123871817 is sourced from PubChem (CID 123871817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).