CID 144955915

C30H20BN2O — CID 144955915

IUPAC—
SMILESO[B]c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C30H20BN2O/c34-31-20-15-16-28-24(17-20)26-19-29-25(18-30(26)33(28)22-11-5-2-6-12-22)23-13-7-8-14-27(23)32(29)21-9-3-1-4-10-21/h1-19,34H
InChIKeyAEQLRSHTEWJYJK-UHFFFAOYSA-N
MW435.32 g/mol
LogP6.12
Rot. Bonds3

About CID 144955915

CID 144955915 (PubChem CID 144955915) has the molecular formula C30H20BN2O and a molecular weight of 435.32 g/mol.

Molecular Properties

Compound NameCID 144955915
PubChem CID144955915
Molecular FormulaC30H20BN2O
Molecular Weight435.32 g/mol
Exact Mass435.17
IUPAC Name—
SMILESO[B]c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C30H20BN2O/c34-31-20-15-16-28-24(17-20)26-19-29-25(18-30(26)33(28)22-11-5-2-6-12-22)23-13-7-8-14-27(23)32(29)21-9-3-1-4-10-21/h1-19,34H
InChIKeyAEQLRSHTEWJYJK-UHFFFAOYSA-N
XLogP6.12
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 56.12
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-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
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2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of CID 144955915?
The IUPAC name of CID 144955915 (CID 144955915) is not available.
What is the SMILES notation for CID 144955915?
The canonical SMILES for CID 144955915 is O[B]c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)c1ccccc1n3-c1ccccc1.
What is the InChIKey of CID 144955915?
The InChIKey is AEQLRSHTEWJYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BN2O/c34-31-20-15-16-28-24(17-20)26-19-29-25(18-30(26)33(28)22-11-5-2-6-12-22)23-13-7-8-14-27(23)32(29)21-9-3-1-4-10-21/h1-19,34H.
What are the key properties of CID 144955915?
CID 144955915 has a molecular weight of 435.32 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144955915 is sourced from PubChem (CID 144955915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).