10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine

C50H30N4O2S2 — CID 129148069

IUPAC10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C50H30N4O2S2/c1-11-23-47-35(13-1)51-49(57-47)31-25-27-33(41(29-31)53-37-15-3-7-19-43(37)55-44-20-8-4-16-38(44)53)34-28-26-32(50-52-36-14-2-12-24-48(36)58-50)30-42(34)54-39-17-5-9-21-45(39)56-46-22-10-6-18-40(46)54/h1-30H
InChIKeyLUVRMINBFVKQJK-UHFFFAOYSA-N
MW782.95 g/mol
LogP15.06
Rot. Bonds5

About 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine

10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine (PubChem CID 129148069) has the molecular formula C50H30N4O2S2 and a molecular weight of 782.95 g/mol. Its IUPAC name is 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine
PubChem CID129148069
Molecular FormulaC50H30N4O2S2
Molecular Weight782.95 g/mol
Exact Mass782.18
IUPAC Name10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C50H30N4O2S2/c1-11-23-47-35(13-1)51-49(57-47)31-25-27-33(41(29-31)53-37-15-3-7-19-43(37)55-44-20-8-4-16-38(44)53)34-28-26-32(50-52-36-14-2-12-24-48(36)58-50)30-42(34)54-39-17-5-9-21-45(39)56-46-22-10-6-18-40(46)54/h1-30H
InChIKeyLUVRMINBFVKQJK-UHFFFAOYSA-N
XLogP15.06
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.95
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The IUPAC name of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine (CID 129148069) is 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
The InChIKey is LUVRMINBFVKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2S2/c1-11-23-47-35(13-1)51-49(57-47)31-25-27-33(41(29-31)53-37-15-3-7-19-43(37)55-44-20-8-4-16-38(44)53)34-28-26-32(50-52-36-14-2-12-24-48(36)58-50)30-42(34)54-39-17-5-9-21-45(39)56-46-22-10-6-18-40(46)54/h1-30H.
What are the key properties of 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine?
10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine has a molecular weight of 782.95 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 129148069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).