10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine — IUPAC name, SMILES, InChIKey & properties

Name: 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine

10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine (PubChem CID 160501002) has the molecular formula C153H96N12O5S6 and a molecular weight of 2374.93 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name	10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine
PubChem CID	160501002
Molecular Formula	C153H96N12O5S6
Molecular Weight	2374.93 g/mol
Exact Mass	2372.60
IUPAC Name	10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine
SMILES	CC1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc4ccccc4o3)c(-c3nc4ccccc4o3)c2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Sc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Sc2ccccc21
InChI	InChI=1S/C53H36N4O3.2C50H30N4OS3/c1-53(2)39-15-3-7-19-43(39)56(44-20-8-4-16-40(44)53)33-27-29-35(37(31-33)51-54-41-17-5-11-23-47(41)59-51)36-30-28-34(32-38(36)52-55-42-18-6-12-24-48(42)60-52)57-45-21-9-13-25-49(45)58-50-26-14-10-22-46(50)57;1-9-21-45-37(13-1)51-49(57-45)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-10-22-46(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54;1-9-21-45-35(13-1)51-49(57-45)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(50-52-36-14-2-10-22-46(36)58-50)30-42(34)54-39-17-5-11-23-47(39)56-48-24-12-6-18-40(48)54/h3-32H,1-2H3;2*1-30H
InChIKey	QRTWPTUMLVRNKH-UHFFFAOYSA-N
XLogP	45.49
TPSA	150.75 Å²
H-Bond Donors
H-Bond Acceptors	23
Rotatable Bonds	15
Heavy Atoms	176
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.93
LogP ≤ 5	45.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Analyze 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine (CID 160501002) is 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine.

What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc4ccccc4o3)c(-c3nc4ccccc4o3)c2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Sc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)ccc1-c1ccc(-c2nc3ccccc3s2)cc1N1c2ccccc2Sc2ccccc21.

What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

The InChIKey is QRTWPTUMLVRNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4O3.2C50H30N4OS3/c1-53(2)39-15-3-7-19-43(39)56(44-20-8-4-16-40(44)53)33-27-29-35(37(31-33)51-54-41-17-5-11-23-47(41)59-51)36-30-28-34(32-38(36)52-55-42-18-6-12-24-48(42)60-52)57-45-21-9-13-25-49(45)58-50-26-14-10-22-46(50)57;1-9-21-45-37(13-1)51-49(57-45)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-10-22-46(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54;1-9-21-45-35(13-1)51-49(57-45)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(50-52-36-14-2-10-22-46(36)58-50)30-42(34)54-39-17-5-11-23-47(39)56-48-24-12-6-18-40(48)54/h3-32H,1-2H3;2*1-30H.

What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

Where does this data come from?

All data for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[5-(1,3-benzothiazol-2-yl)-2-[4-(1,3-benzothiazol-2-yl)-2-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 160501002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).