CID 174096772

C24H13B3ClN — CID 174096772

IUPAC—
SMILES[B]c1c(Cl)c([B])c2c3cccc(-c4ccccc4)c3n(-c3ccccc3)c2c1[B]
InChIInChI=1S/C24H13B3ClN/c25-19-18-17-13-7-12-16(14-8-3-1-4-9-14)23(17)29(15-10-5-2-6-11-15)24(18)21(27)20(26)22(19)28/h1-13H
InChIKeyAEWNVKLKEJXTDD-UHFFFAOYSA-N
MW383.26 g/mol
LogP3.49
Rot. Bonds2

About CID 174096772

CID 174096772 (PubChem CID 174096772) has the molecular formula C24H13B3ClN and a molecular weight of 383.26 g/mol.

Molecular Properties

Compound NameCID 174096772
PubChem CID174096772
Molecular FormulaC24H13B3ClN
Molecular Weight383.26 g/mol
Exact Mass383.10
IUPAC Name—
SMILES[B]c1c(Cl)c([B])c2c3cccc(-c4ccccc4)c3n(-c3ccccc3)c2c1[B]
InChIInChI=1S/C24H13B3ClN/c25-19-18-17-13-7-12-16(14-8-3-1-4-9-14)23(17)29(15-10-5-2-6-11-15)24(18)21(27)20(26)22(19)28/h1-13H
InChIKeyAEWNVKLKEJXTDD-UHFFFAOYSA-N
XLogP3.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174096780
CID 174096780
1-chloro-8,9-diphenylcarbazole
CID 146616822
CID 174096232
CID 174096232
CID 174096648
CID 174096648
1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
CID 121449215
CID 174095785
CID 174095785
CID 174096227
CID 174096227
triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170516087
CID 174096001
CID 174096001
CID 174096468
CID 174096468
3,14-diphenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723872
1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 130438691

Frequently Asked Questions

What is the IUPAC name of CID 174096772?
The IUPAC name of CID 174096772 (CID 174096772) is not available.
What is the SMILES notation for CID 174096772?
The canonical SMILES for CID 174096772 is [B]c1c(Cl)c([B])c2c3cccc(-c4ccccc4)c3n(-c3ccccc3)c2c1[B].
What is the InChIKey of CID 174096772?
The InChIKey is AEWNVKLKEJXTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13B3ClN/c25-19-18-17-13-7-12-16(14-8-3-1-4-9-14)23(17)29(15-10-5-2-6-11-15)24(18)21(27)20(26)22(19)28/h1-13H.
What are the key properties of CID 174096772?
CID 174096772 has a molecular weight of 383.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174096772 is sourced from PubChem (CID 174096772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).