7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine

C198H132Ir4N14O4S2-4 — CID 160503082

IUPAC7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)Oc2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2N3c2cc[c-]c(-c3nccc4ccccc34)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3Oc3cc(-c4cccs4)ccc32)cc1-c1nccc2ccccc12.[c-]1ccc(N2c3ccc(-c4cccs4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1nccc2ccccc12.[c-]1ccc(N2c3ccc(N(c4ccccc4)c4ccccc4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1nccc2ccccc12
InChIInChI=1S/C55H43N4O.C51H33N4O.C49H30N3OS.C43H26N3OS.4Ir/c1-37-12-20-43(21-13-37)57(44-22-14-38(2)15-23-44)48-28-30-51-53(35-48)60-54-36-49(58(45-24-16-39(3)17-25-45)46-26-18-40(4)19-27-46)29-31-52(54)59(51)47-10-7-9-42(34-47)55-50-11-6-5-8-41(50)32-33-56-55;1-3-16-37(17-4-1)53(38-18-5-2-6-19-38)40-26-28-47-49(33-40)56-50-34-41(54-45-24-11-9-22-43(45)44-23-10-12-25-46(44)54)27-29-48(50)55(47)39-20-13-15-36(32-39)51-42-21-8-7-14-35(42)30-31-52-51;1-2-12-37(13-3-1)51-42-17-7-6-16-40(42)41-29-33(19-22-43(41)51)34-20-23-44-46(30-34)53-47-31-35(48-18-9-27-54-48)21-24-45(47)52(44)38-14-8-11-36(28-38)49-39-15-5-4-10-32(39)25-26-50-49;1-2-12-33-28(9-1)22-23-44-43(33)30-10-7-11-31(25-30)46-38-20-18-29(42-17-8-24-48-42)26-40(38)47-41-27-32(19-21-39(41)46)45-36-15-5-3-13-34(36)35-14-4-6-16-37(35)45;;;;/h5-8,10-36H,1-4H3;1-14,16-34H;1-10,12-31H;1-9,11-27H;;;;/q4*-1;;;;
InChIKeyMIFLXIGDDSUUTN-UHFFFAOYSA-N
MW3604.33 g/mol
LogP55.16
Rot. Bonds23

About 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine

7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine (PubChem CID 160503082) has the molecular formula C198H132Ir4N14O4S2-4 and a molecular weight of 3604.33 g/mol. Its IUPAC name is 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine.

Molecular Properties

Compound Name7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine
PubChem CID160503082
Molecular FormulaC198H132Ir4N14O4S2-4
Molecular Weight3604.33 g/mol
Exact Mass3604.85
IUPAC Name7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)Oc2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2N3c2cc[c-]c(-c3nccc4ccccc34)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3Oc3cc(-c4cccs4)ccc32)cc1-c1nccc2ccccc12.[c-]1ccc(N2c3ccc(-c4cccs4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1nccc2ccccc12.[c-]1ccc(N2c3ccc(N(c4ccccc4)c4ccccc4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1nccc2ccccc12
InChIInChI=1S/C55H43N4O.C51H33N4O.C49H30N3OS.C43H26N3OS.4Ir/c1-37-12-20-43(21-13-37)57(44-22-14-38(2)15-23-44)48-28-30-51-53(35-48)60-54-36-49(58(45-24-16-39(3)17-25-45)46-26-18-40(4)19-27-46)29-31-52(54)59(51)47-10-7-9-42(34-47)55-50-11-6-5-8-41(50)32-33-56-55;1-3-16-37(17-4-1)53(38-18-5-2-6-19-38)40-26-28-47-49(33-40)56-50-34-41(54-45-24-11-9-22-43(45)44-23-10-12-25-46(44)54)27-29-48(50)55(47)39-20-13-15-36(32-39)51-42-21-8-7-14-35(42)30-31-52-51;1-2-12-37(13-3-1)51-42-17-7-6-16-40(42)41-29-33(19-22-43(41)51)34-20-23-44-46(30-34)53-47-31-35(48-18-9-27-54-48)21-24-45(47)52(44)38-14-8-11-36(28-38)49-39-15-5-4-10-32(39)25-26-50-49;1-2-12-33-28(9-1)22-23-44-43(33)30-10-7-11-31(25-30)46-38-20-18-29(42-17-8-24-48-42)26-40(38)47-41-27-32(19-21-39(41)46)45-36-15-5-3-13-34(36)35-14-4-6-16-37(35)45;;;;/h5-8,10-36H,1-4H3;1-14,16-34H;1-10,12-31H;1-9,11-27H;;;;/q4*-1;;;;
InChIKeyMIFLXIGDDSUUTN-UHFFFAOYSA-N
XLogP55.16
TPSA125.95 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003604.33
LogP ≤ 555.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine?
The IUPAC name of 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine (CID 160503082) is 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine.
What is the SMILES notation for 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine?
The canonical SMILES for 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)Oc2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2N3c2cc[c-]c(-c3nccc4ccccc34)c2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(N2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3Oc3cc(-c4cccs4)ccc32)cc1-c1nccc2ccccc12.[c-]1ccc(N2c3ccc(-c4cccs4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1nccc2ccccc12.[c-]1ccc(N2c3ccc(N(c4ccccc4)c4ccccc4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1nccc2ccccc12.
What is the InChIKey of 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine?
The InChIKey is MIFLXIGDDSUUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N4O.C51H33N4O.C49H30N3OS.C43H26N3OS.4Ir/c1-37-12-20-43(21-13-37)57(44-22-14-38(2)15-23-44)48-28-30-51-53(35-48)60-54-36-49(58(45-24-16-39(3)17-25-45)46-26-18-40(4)19-27-46)29-31-52(54)59(51)47-10-7-9-42(34-47)55-50-11-6-5-8-41(50)32-33-56-55;1-3-16-37(17-4-1)53(38-18-5-2-6-19-38)40-26-28-47-49(33-40)56-50-34-41(54-45-24-11-9-22-43(45)44-23-10-12-25-46(44)54)27-29-48(50)55(47)39-20-13-15-36(32-39)51-42-21-8-7-14-35(42)30-31-52-51;1-2-12-37(13-3-1)51-42-17-7-6-16-40(42)41-29-33(19-22-43(41)51)34-20-23-44-46(30-34)53-47-31-35(48-18-9-27-54-48)21-24-45(47)52(44)38-14-8-11-36(28-38)49-39-15-5-4-10-32(39)25-26-50-49;1-2-12-33-28(9-1)22-23-44-43(33)30-10-7-11-31(25-30)46-38-20-18-29(42-17-8-24-48-42)26-40(38)47-41-27-32(19-21-39(41)46)45-36-15-5-3-13-34(36)35-14-4-6-16-37(35)45;;;;/h5-8,10-36H,1-4H3;1-14,16-34H;1-10,12-31H;1-9,11-27H;;;;/q4*-1;;;;.
What are the key properties of 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine?
7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine has a molecular weight of 3604.33 g/mol, XLogP of 55.16, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine is sourced from PubChem (CID 160503082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).