10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

C38H24N4OS — CID 129148117

IUPAC10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5s4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C38H24N4OS/c1-2-12-27(13-3-1)42-31-16-6-4-14-29(31)39-37(42)25-22-26(38-40-30-15-5-11-21-36(30)44-38)24-28(23-25)41-32-17-7-9-19-34(32)43-35-20-10-8-18-33(35)41/h1-24H
InChIKeySSVHUDPZQCICJI-UHFFFAOYSA-N
MW584.70 g/mol
LogP10.54
Rot. Bonds4

About 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 129148117) has the molecular formula C38H24N4OS and a molecular weight of 584.70 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
PubChem CID129148117
Molecular FormulaC38H24N4OS
Molecular Weight584.70 g/mol
Exact Mass584.17
IUPAC Name10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5s4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C38H24N4OS/c1-2-12-27(13-3-1)42-31-16-6-4-14-29(31)39-37(42)25-22-26(38-40-30-15-5-11-21-36(30)44-38)24-28(23-25)41-32-17-7-9-19-34(32)43-35-20-10-8-18-33(35)41/h1-24H
InChIKeySSVHUDPZQCICJI-UHFFFAOYSA-N
XLogP10.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.70
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (CID 129148117) is 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(-c4nc5ccccc5s4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is SSVHUDPZQCICJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4OS/c1-2-12-27(13-3-1)42-31-16-6-4-14-29(31)39-37(42)25-22-26(38-40-30-15-5-11-21-36(30)44-38)24-28(23-25)41-32-17-7-9-19-34(32)43-35-20-10-8-18-33(35)41/h1-24H.
What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine has a molecular weight of 584.70 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-benzothiazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).