2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one

C38H23N3OS — CID 90201692

IUPAC2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one
SMILESO=c1c2ccccc2n(-c2ccccc2)c2cc3sc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3cc12
InChIInChI=1S/C38H23N3OS/c42-37-29-14-6-9-17-34(29)41(25-10-2-1-3-11-25)35-23-36-31(22-30(35)37)39-38(43-36)24-18-20-26(21-19-24)40-32-15-7-4-12-27(32)28-13-5-8-16-33(28)40/h1-23H
InChIKeyLKAQVIJMLGLXSX-UHFFFAOYSA-N
MW569.69 g/mol
LogP9.52
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one

2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one (PubChem CID 90201692) has the molecular formula C38H23N3OS and a molecular weight of 569.69 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one
PubChem CID90201692
Molecular FormulaC38H23N3OS
Molecular Weight569.69 g/mol
Exact Mass569.16
IUPAC Name2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one
SMILESO=c1c2ccccc2n(-c2ccccc2)c2cc3sc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3cc12
InChIInChI=1S/C38H23N3OS/c42-37-29-14-6-9-17-34(29)41(25-10-2-1-3-11-25)35-23-36-31(22-30(35)37)39-38(43-36)24-18-20-26(21-19-24)40-32-15-7-4-12-27(32)28-13-5-8-16-33(28)40/h1-23H
InChIKeyLKAQVIJMLGLXSX-UHFFFAOYSA-N
XLogP9.52
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one 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

6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole
CID 145306641
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
5,7-diphenylquinolino[3,2-b]acridine-12,14-dione
CID 146333918
2,7-bis(9-phenylcarbazol-3-yl)thioxanthen-9-one
CID 167425338
9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 126585577
2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole
CID 160868466
9-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-6-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 171455896
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453490
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 171756549
2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole
CID 160697130
2-phenyl-6-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-1,3-benzothiazole
CID 129122301

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one (CID 90201692) is 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one is O=c1c2ccccc2n(-c2ccccc2)c2cc3sc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3cc12.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one?
The InChIKey is LKAQVIJMLGLXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3OS/c42-37-29-14-6-9-17-34(29)41(25-10-2-1-3-11-25)35-23-36-31(22-30(35)37)39-38(43-36)24-18-20-26(21-19-24)40-32-15-7-4-12-27(32)28-13-5-8-16-33(28)40/h1-23H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one?
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one has a molecular weight of 569.69 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one is sourced from PubChem (CID 90201692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).