CID 167347929

C30H21BNO2 — CID 167347929

IUPAC—
SMILESO[B]Oc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H21BNO2/c33-31-34-24-18-19-30-28(20-24)27-12-6-7-13-29(27)32(30)23-16-14-22(15-17-23)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-20,33H
InChIKeyKYAVJFIZFINRMV-UHFFFAOYSA-N
MW438.32 g/mol
LogP7.02
Rot. Bonds5

About CID 167347929

CID 167347929 (PubChem CID 167347929) has the molecular formula C30H21BNO2 and a molecular weight of 438.32 g/mol.

Molecular Properties

Compound NameCID 167347929
PubChem CID167347929
Molecular FormulaC30H21BNO2
Molecular Weight438.32 g/mol
Exact Mass438.17
IUPAC Name—
SMILESO[B]Oc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H21BNO2/c33-31-34-24-18-19-30-28(20-24)27-12-6-7-13-29(27)32(30)23-16-14-22(15-17-23)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-20,33H
InChIKeyKYAVJFIZFINRMV-UHFFFAOYSA-N
XLogP7.02
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
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9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
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CID 90167817
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
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2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of CID 167347929?
The IUPAC name of CID 167347929 (CID 167347929) is not available.
What is the SMILES notation for CID 167347929?
The canonical SMILES for CID 167347929 is O[B]Oc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of CID 167347929?
The InChIKey is KYAVJFIZFINRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21BNO2/c33-31-34-24-18-19-30-28(20-24)27-12-6-7-13-29(27)32(30)23-16-14-22(15-17-23)26-11-5-4-10-25(26)21-8-2-1-3-9-21/h1-20,33H.
What are the key properties of CID 167347929?
CID 167347929 has a molecular weight of 438.32 g/mol, XLogP of 7.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167347929 is sourced from PubChem (CID 167347929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).