2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole

C49H29N5OS — CID 155366214

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole
SMILESc1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1
InChIInChI=1S/C49H29N5OS/c1-2-12-36(13-3-1)53-44-16-8-6-14-39(44)52-49(53)54-42-24-21-34(27-37(42)38-28-35(22-25-43(38)54)48-51-41-15-7-9-17-46(41)56-48)47-50-40-23-20-33(29-45(40)55-47)32-19-18-30-10-4-5-11-31(30)26-32/h1-29H
InChIKeyBZCCPFHPYYDCHH-UHFFFAOYSA-N
MW735.87 g/mol
LogP13.03
Rot. Bonds5

About 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole (PubChem CID 155366214) has the molecular formula C49H29N5OS and a molecular weight of 735.87 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole
PubChem CID155366214
Molecular FormulaC49H29N5OS
Molecular Weight735.87 g/mol
Exact Mass735.21
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole
SMILESc1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1
InChIInChI=1S/C49H29N5OS/c1-2-12-36(13-3-1)53-44-16-8-6-14-39(44)52-49(53)54-42-24-21-34(27-37(42)38-28-35(22-25-43(38)54)48-51-41-15-7-9-17-46(41)56-48)47-50-40-23-20-33(29-45(40)55-47)32-19-18-30-10-4-5-11-31(30)26-32/h1-29H
InChIKeyBZCCPFHPYYDCHH-UHFFFAOYSA-N
XLogP13.03
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.87
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole (CID 155366214) is 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole is c1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7ccc8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole?
The InChIKey is BZCCPFHPYYDCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5OS/c1-2-12-36(13-3-1)53-44-16-8-6-14-39(44)52-49(53)54-42-24-21-34(27-37(42)38-28-35(22-25-43(38)54)48-51-41-15-7-9-17-46(41)56-48)47-50-40-23-20-33(29-45(40)55-47)32-19-18-30-10-4-5-11-31(30)26-32/h1-29H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole has a molecular weight of 735.87 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 155366214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).