2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole

C27H17N3S — CID 121298561

IUPAC2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole
SMILESc1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2nc3ccccc3s2)cc1
InChIInChI=1S/C27H17N3S/c1-2-10-18(11-3-1)29-22-15-7-4-12-19(22)26-25(29)20-13-5-8-16-23(20)30(26)27-28-21-14-6-9-17-24(21)31-27/h1-17H
InChIKeyBXVJHBFZPPDUMK-UHFFFAOYSA-N
MW415.52 g/mol
LogP7.34
Rot. Bonds2

About 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole

2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole (PubChem CID 121298561) has the molecular formula C27H17N3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole
PubChem CID121298561
Molecular FormulaC27H17N3S
Molecular Weight415.52 g/mol
Exact Mass415.11
IUPAC Name2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole
SMILESc1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2nc3ccccc3s2)cc1
InChIInChI=1S/C27H17N3S/c1-2-10-18(11-3-1)29-22-15-7-4-12-19(22)26-25(29)20-13-5-8-16-23(20)30(26)27-28-21-14-6-9-17-24(21)31-27/h1-17H
InChIKeyBXVJHBFZPPDUMK-UHFFFAOYSA-N
XLogP7.34
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole 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-(16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122465359
2-(3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-16-yl)-1,3-benzothiazole
CID 122465341
10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 121298667
2-[11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzothiazole
CID 166582993
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
CID 79753561
14,22-diphenyl-9-thia-14,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene
CID 118203573
7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502672
dibenzothiophene;9-phenylcarbazole
CID 142415981
3-phenyl-16-thia-3,14,24-triazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,17,19,21-decaen-23-one
CID 156870576
11-phenyl-12-(2-phenylquinolin-4-yl)indolo[2,3-a]carbazole
CID 118501924
2-(16,16-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122464525
3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-phenylquinolin-2-one;methane;zinc
CID 161102870

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole (CID 121298561) is 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole is c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole?
The InChIKey is BXVJHBFZPPDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3S/c1-2-10-18(11-3-1)29-22-15-7-4-12-19(22)26-25(29)20-13-5-8-16-23(20)30(26)27-28-21-14-6-9-17-24(21)31-27/h1-17H.
What are the key properties of 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole?
2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole has a molecular weight of 415.52 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole is sourced from PubChem (CID 121298561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).