10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

C257H155N11O8S — CID 158209340

IUPAC10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc(-c4nc5ccccc5s4)cc3)c2c1
InChIInChI=1S/C68H40N2O2.C68H42N2O2.C61H37N3O2S.C60H36N4O2/c1-2-15-43-38-44(31-30-41(43)14-1)66-53-34-32-46(70-59-24-5-9-28-63(59)72-64-29-10-6-25-60(64)70)40-56(53)68(52-37-36-51-48-19-12-17-42-16-11-18-47(65(42)48)49-20-13-21-50(52)67(49)51)54-35-33-45(39-55(54)66)69-57-22-3-7-26-61(57)71-62-27-8-4-23-58(62)69;1-2-16-46-39-48(34-29-43(46)15-1)68-55-38-36-49(69-59-21-7-11-25-63(59)71-64-26-12-8-22-60(64)69)41-57(55)67(45-32-30-44(31-33-45)56-40-47-17-3-4-18-51(47)52-19-5-6-20-53(52)56)54-37-35-50(42-58(54)68)70-61-23-9-13-27-65(61)72-66-28-14-10-24-62(66)70;1-2-14-41-35-42(30-25-38(41)13-1)60-46-34-32-43(63-50-16-4-8-20-54(50)65-55-21-9-5-17-51(55)63)36-47(46)59(39-26-28-40(29-27-39)61-62-49-15-3-12-24-58(49)67-61)45-33-31-44(37-48(45)60)64-52-18-6-10-22-56(52)66-57-23-11-7-19-53(57)64;1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-40H;1-42H;1-37H;1-36H
InChIKeyGBWNALBJYNBEBP-UHFFFAOYSA-N
MW3557.20 g/mol
LogP73.92
Rot. Bonds18

About 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 158209340) has the molecular formula C257H155N11O8S and a molecular weight of 3557.20 g/mol. Its IUPAC name is 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
PubChem CID158209340
Molecular FormulaC257H155N11O8S
Molecular Weight3557.20 g/mol
Exact Mass3554.18
IUPAC Name10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc(-c4nc5ccccc5s4)cc3)c2c1
InChIInChI=1S/C68H40N2O2.C68H42N2O2.C61H37N3O2S.C60H36N4O2/c1-2-15-43-38-44(31-30-41(43)14-1)66-53-34-32-46(70-59-24-5-9-28-63(59)72-64-29-10-6-25-60(64)70)40-56(53)68(52-37-36-51-48-19-12-17-42-16-11-18-47(65(42)48)49-20-13-21-50(52)67(49)51)54-35-33-45(39-55(54)66)69-57-22-3-7-26-61(57)71-62-27-8-4-23-58(62)69;1-2-16-46-39-48(34-29-43(46)15-1)68-55-38-36-49(69-59-21-7-11-25-63(59)71-64-26-12-8-22-60(64)69)41-57(55)67(45-32-30-44(31-33-45)56-40-47-17-3-4-18-51(47)52-19-5-6-20-53(52)56)54-37-35-50(42-58(54)68)70-61-23-9-13-27-65(61)72-66-28-14-10-24-62(66)70;1-2-14-41-35-42(30-25-38(41)13-1)60-46-34-32-43(63-50-16-4-8-20-54(50)65-55-21-9-5-17-51(55)63)36-47(46)59(39-26-28-40(29-27-39)61-62-49-15-3-12-24-58(49)67-61)45-33-31-44(37-48(45)60)64-52-18-6-10-22-56(52)66-57-23-11-7-19-53(57)64;1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-40H;1-42H;1-37H;1-36H
InChIKeyGBWNALBJYNBEBP-UHFFFAOYSA-N
XLogP73.92
TPSA138.43 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003557.20
LogP ≤ 573.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine 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 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 158209340) is 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccc5cccnc5c4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4c3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c2c1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4c3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc(-c4nc5ccccc5s4)cc3)c2c1.
What is the InChIKey of 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The InChIKey is GBWNALBJYNBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N2O2.C68H42N2O2.C61H37N3O2S.C60H36N4O2/c1-2-15-43-38-44(31-30-41(43)14-1)66-53-34-32-46(70-59-24-5-9-28-63(59)72-64-29-10-6-25-60(64)70)40-56(53)68(52-37-36-51-48-19-12-17-42-16-11-18-47(65(42)48)49-20-13-21-50(52)67(49)51)54-35-33-45(39-55(54)66)69-57-22-3-7-26-61(57)71-62-27-8-4-23-58(62)69;1-2-16-46-39-48(34-29-43(46)15-1)68-55-38-36-49(69-59-21-7-11-25-63(59)71-64-26-12-8-22-60(64)69)41-57(55)67(45-32-30-44(31-33-45)56-40-47-17-3-4-18-51(47)52-19-5-6-20-53(52)56)54-37-35-50(42-58(54)68)70-61-23-9-13-27-65(61)72-66-28-14-10-24-62(66)70;1-2-14-41-35-42(30-25-38(41)13-1)60-46-34-32-43(63-50-16-4-8-20-54(50)65-55-21-9-5-17-51(55)63)36-47(46)59(39-26-28-40(29-27-39)61-62-49-15-3-12-24-58(49)67-61)45-33-31-44(37-48(45)60)64-52-18-6-10-22-56(52)66-57-23-11-7-19-53(57)64;1-2-13-40-34-41(26-23-37(40)12-1)57-44-30-28-43(64-51-17-5-9-21-55(51)66-56-22-10-6-18-52(56)64)36-47(44)58(48-32-27-39-25-24-38-14-11-33-61-59(38)60(39)62-48)45-31-29-42(35-46(45)57)63-49-15-3-7-19-53(49)65-54-20-8-4-16-50(54)63/h1-40H;1-42H;1-37H;1-36H.
What are the key properties of 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 3557.20 g/mol, XLogP of 73.92, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[4-(1,3-benzothiazol-2-yl)phenyl]-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-(9-naphthalen-2-yl-10-perylen-3-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine;10-[9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine;10-[9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 158209340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).