10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine

C197H132N16O5SSi — CID 159569708

IUPAC10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccnc34)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccnc34)cc2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccnc3c2ccc2c(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccnc3c2ccc2c(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccnc23)cc1
InChIInChI=1S/C51H36N4O.C50H36N4OSi.C48H30N4O2.C48H30N4OS/c1-51(2)41-11-3-5-13-43(41)54(44-14-6-4-12-42(44)51)35-23-19-33(20-24-35)37-29-31-52-49-39(37)27-28-40-38(30-32-53-50(40)49)34-21-25-36(26-22-34)55-45-15-7-9-17-47(45)56-48-18-10-8-16-46(48)55;1-56(2)47-17-9-5-13-43(47)54(44-14-6-10-18-48(44)56)36-25-21-34(22-26-36)38-30-32-52-50-40(38)28-27-39-37(29-31-51-49(39)50)33-19-23-35(24-20-33)53-41-11-3-7-15-45(41)55-46-16-8-4-12-42(46)53;2*1-5-13-43-39(9-1)51(40-10-2-6-14-44(40)53-43)33-21-17-31(18-22-33)35-27-29-49-47-37(35)25-26-38-36(28-30-50-48(38)47)32-19-23-34(24-20-32)52-41-11-3-7-15-45(41)54-46-16-8-4-12-42(46)52/h2*3-32H,1-2H3;2*1-30H
InChIKeyMHQTZXOAWUIARB-UHFFFAOYSA-N
MW2863.48 g/mol
LogP52.99
Rot. Bonds16

About 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine

10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine (PubChem CID 159569708) has the molecular formula C197H132N16O5SSi and a molecular weight of 2863.48 g/mol. Its IUPAC name is 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine
PubChem CID159569708
Molecular FormulaC197H132N16O5SSi
Molecular Weight2863.48 g/mol
Exact Mass2861.01
IUPAC Name10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccnc34)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccnc34)cc2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccnc3c2ccc2c(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccnc3c2ccc2c(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccnc23)cc1
InChIInChI=1S/C51H36N4O.C50H36N4OSi.C48H30N4O2.C48H30N4OS/c1-51(2)41-11-3-5-13-43(41)54(44-14-6-4-12-42(44)51)35-23-19-33(20-24-35)37-29-31-52-49-39(37)27-28-40-38(30-32-53-50(40)49)34-21-25-36(26-22-34)55-45-15-7-9-17-47(45)56-48-18-10-8-16-46(48)55;1-56(2)47-17-9-5-13-43(47)54(44-14-6-10-18-48(44)56)36-25-21-34(22-26-36)38-30-32-52-50-40(38)28-27-39-37(29-31-51-49(39)50)33-19-23-35(24-20-33)53-41-11-3-7-15-45(41)55-46-16-8-4-12-42(46)53;2*1-5-13-43-39(9-1)51(40-10-2-6-14-44(40)53-43)33-21-17-31(18-22-33)35-27-29-49-47-37(35)25-26-38-36(28-30-50-48(38)47)32-19-23-34(24-20-32)52-41-11-3-7-15-45(41)54-46-16-8-4-12-42(46)52/h2*3-32H,1-2H3;2*1-30H
InChIKeyMHQTZXOAWUIARB-UHFFFAOYSA-N
XLogP52.99
TPSA175.19 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002863.48
LogP ≤ 552.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine (CID 159569708) is 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccnc34)cc2)c2ccccc21.C[Si]1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3c(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)ccnc34)cc2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccnc3c2ccc2c(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccnc23)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2ccnc3c2ccc2c(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)ccnc23)cc1.
What is the InChIKey of 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine?
The InChIKey is MHQTZXOAWUIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O.C50H36N4OSi.C48H30N4O2.C48H30N4OS/c1-51(2)41-11-3-5-13-43(41)54(44-14-6-4-12-42(44)51)35-23-19-33(20-24-35)37-29-31-52-49-39(37)27-28-40-38(30-32-53-50(40)49)34-21-25-36(26-22-34)55-45-15-7-9-17-47(45)56-48-18-10-8-16-46(48)55;1-56(2)47-17-9-5-13-43(47)54(44-14-6-10-18-48(44)56)36-25-21-34(22-26-36)38-30-32-52-50-40(38)28-27-39-37(29-31-51-49(39)50)33-19-23-35(24-20-33)53-41-11-3-7-15-45(41)55-46-16-8-4-12-42(46)53;2*1-5-13-43-39(9-1)51(40-10-2-6-14-44(40)53-43)33-21-17-31(18-22-33)35-27-29-49-47-37(35)25-26-38-36(28-30-50-48(38)47)32-19-23-34(24-20-32)52-41-11-3-7-15-45(41)54-46-16-8-4-12-42(46)52/h2*3-32H,1-2H3;2*1-30H.
What are the key properties of 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine?
10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine has a molecular weight of 2863.48 g/mol, XLogP of 52.99, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenothiazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine;10-[4-[7-(4-phenoxazin-10-ylphenyl)-1,10-phenanthrolin-4-yl]phenyl]phenoxazine is sourced from PubChem (CID 159569708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).