2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole

C31H27BN2O2S — CID 144788185

IUPAC2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
SMILESCC1(C)OB(c2cccc(-c3ccc4[nH]c5c(ccc6nc(-c7ccccc7)sc65)c4c3)c2)OC1(C)C
InChIInChI=1S/C31H27BN2O2S/c1-30(2)31(3,4)36-32(35-30)22-12-8-11-20(17-22)21-13-15-25-24(18-21)23-14-16-26-28(27(23)33-25)37-29(34-26)19-9-6-5-7-10-19/h5-18,33H,1-4H3
InChIKeyNFJDYANWJQQSCC-UHFFFAOYSA-N
MW502.45 g/mol
LogP7.56
Rot. Bonds3

About 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole

2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole (PubChem CID 144788185) has the molecular formula C31H27BN2O2S and a molecular weight of 502.45 g/mol. Its IUPAC name is 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole.

Molecular Properties

Compound Name2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
PubChem CID144788185
Molecular FormulaC31H27BN2O2S
Molecular Weight502.45 g/mol
Exact Mass502.19
IUPAC Name2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
SMILESCC1(C)OB(c2cccc(-c3ccc4[nH]c5c(ccc6nc(-c7ccccc7)sc65)c4c3)c2)OC1(C)C
InChIInChI=1S/C31H27BN2O2S/c1-30(2)31(3,4)36-32(35-30)22-12-8-11-20(17-22)21-13-15-25-24(18-21)23-14-16-26-28(27(23)33-25)37-29(34-26)19-9-6-5-7-10-19/h5-18,33H,1-4H3
InChIKeyNFJDYANWJQQSCC-UHFFFAOYSA-N
XLogP7.56
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.45
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole 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

2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[g][1,3]benzothiazole
CID 174066680
2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
CID 138474055
4,4,5,5-tetramethyl-2-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 123477261
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-4-(2-phenyl-10H-[1,3]thiazolo[5,4-a]carbazol-7-yl)aniline
CID 144788316
2-[3-(6-deuteriodibenzothiophen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171449545
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
4,4,5,5-tetramethyl-2-[3-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1,3,2-dioxaborolane
CID 140867086
2-[3-(4-fluorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 151259521
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
2-(3-dibenzothiophen-3-yl-5-phenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142567972
2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thioxanthen-9-one
CID 144622595
2-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140796929

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
The IUPAC name of 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole (CID 144788185) is 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole.
What is the SMILES notation for 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
The canonical SMILES for 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole is CC1(C)OB(c2cccc(-c3ccc4[nH]c5c(ccc6nc(-c7ccccc7)sc65)c4c3)c2)OC1(C)C.
What is the InChIKey of 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
The InChIKey is NFJDYANWJQQSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27BN2O2S/c1-30(2)31(3,4)36-32(35-30)22-12-8-11-20(17-22)21-13-15-25-24(18-21)23-14-16-26-28(27(23)33-25)37-29(34-26)19-9-6-5-7-10-19/h5-18,33H,1-4H3.
What are the key properties of 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole?
2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole has a molecular weight of 502.45 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole is sourced from PubChem (CID 144788185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).