CID 142592951

C35H32BO2 — CID 142592951

IUPAC—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C35H32BO2/c1-33(2,37)34(3,4)38-36-27-21-19-26(20-22-27)35(25-13-6-5-7-14-25)30-17-11-10-16-29(30)32-28-15-9-8-12-24(28)18-23-31(32)35/h5-23,37H,1-4H3
InChIKeyCZWZSLPDMALWAO-UHFFFAOYSA-N
MW495.45 g/mol
LogP7.01
Rot. Bonds6

About CID 142592951

CID 142592951 (PubChem CID 142592951) has the molecular formula C35H32BO2 and a molecular weight of 495.45 g/mol.

Molecular Properties

Compound NameCID 142592951
PubChem CID142592951
Molecular FormulaC35H32BO2
Molecular Weight495.45 g/mol
Exact Mass495.25
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O[B]c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C35H32BO2/c1-33(2,37)34(3,4)38-36-27-21-19-26(20-22-27)35(25-13-6-5-7-14-25)30-17-11-10-16-29(30)32-28-15-9-8-12-24(28)18-23-31(32)35/h5-23,37H,1-4H3
InChIKeyCZWZSLPDMALWAO-UHFFFAOYSA-N
XLogP7.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.45
LogP ≤ 57.01
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

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2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
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2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
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12-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
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Frequently Asked Questions

What is the IUPAC name of CID 142592951?
The IUPAC name of CID 142592951 (CID 142592951) is not available.
What is the SMILES notation for CID 142592951?
The canonical SMILES for CID 142592951 is CC(C)(O)C(C)(C)O[B]c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of CID 142592951?
The InChIKey is CZWZSLPDMALWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32BO2/c1-33(2,37)34(3,4)38-36-27-21-19-26(20-22-27)35(25-13-6-5-7-14-25)30-17-11-10-16-29(30)32-28-15-9-8-12-24(28)18-23-31(32)35/h5-23,37H,1-4H3.
What are the key properties of CID 142592951?
CID 142592951 has a molecular weight of 495.45 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142592951 is sourced from PubChem (CID 142592951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).