CID 170675897

C28H19BNO2S — CID 170675897

IUPAC—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2cccc3c2ccc2c4ccccc4sc32)cc1
InChIInChI=1S/C28H19BNO2S/c31-29-32-21-15-13-20(14-16-21)30(19-7-2-1-3-8-19)26-11-6-10-24-22(26)17-18-25-23-9-4-5-12-27(23)33-28(24)25/h1-18,31H
InChIKeyYEVBAJDJJMJCDP-UHFFFAOYSA-N
MW444.34 g/mol
LogP7.58
Rot. Bonds5

About CID 170675897

CID 170675897 (PubChem CID 170675897) has the molecular formula C28H19BNO2S and a molecular weight of 444.34 g/mol.

Molecular Properties

Compound NameCID 170675897
PubChem CID170675897
Molecular FormulaC28H19BNO2S
Molecular Weight444.34 g/mol
Exact Mass444.12
IUPAC Name—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2cccc3c2ccc2c4ccccc4sc32)cc1
InChIInChI=1S/C28H19BNO2S/c31-29-32-21-15-13-20(14-16-21)30(19-7-2-1-3-8-19)26-11-6-10-24-22(26)17-18-25-23-9-4-5-12-27(23)33-28(24)25/h1-18,31H
InChIKeyYEVBAJDJJMJCDP-UHFFFAOYSA-N
XLogP7.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.34
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 170675897 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 123553635
CID 123553635
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 129274012
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-4-amine
CID 167184037
N-(4-chrysen-5-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-4-amine
CID 170140786
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886
N-chrysen-2-yl-N-phenyldibenzothiophen-4-amine
CID 170130330
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182873

Frequently Asked Questions

What is the IUPAC name of CID 170675897?
The IUPAC name of CID 170675897 (CID 170675897) is not available.
What is the SMILES notation for CID 170675897?
The canonical SMILES for CID 170675897 is O[B]Oc1ccc(N(c2ccccc2)c2cccc3c2ccc2c4ccccc4sc32)cc1.
What is the InChIKey of CID 170675897?
The InChIKey is YEVBAJDJJMJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BNO2S/c31-29-32-21-15-13-20(14-16-21)30(19-7-2-1-3-8-19)26-11-6-10-24-22(26)17-18-25-23-9-4-5-12-27(23)33-28(24)25/h1-18,31H.
What are the key properties of CID 170675897?
CID 170675897 has a molecular weight of 444.34 g/mol, XLogP of 7.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170675897 is sourced from PubChem (CID 170675897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).