1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium

C176H196IrN10-2 — CID 158435991

IUPAC1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCc1ccc(C2(c3ccc(-c4cc[c-]c(-c5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cn5)c4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.[Ir]
InChIInChI=1S/C67H65N4.C44H52N2.C34H33N4.C31H46.Ir/c1-10-11-12-13-15-46-20-29-55(30-21-46)67(59-40-44(2)18-37-57(59)58-38-19-45(3)41-60(58)67)56-35-22-47(23-36-56)50-16-14-17-51(42-50)61-39-28-52(43-68-61)64-70-62(48-24-31-53(32-25-48)65(4,5)6)69-63(71-64)49-26-33-54(34-27-49)66(7,8)9;1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;/h14,16,18-43H,10-13,15H2,1-9H3;13-28H,1-12H3;7-10,12-22H,1-6H3;17-20,23-24H,5-16,21-22H2,1-4H3;/q-1;;-1;;
InChIKeyFSZZKVHWSWEHTR-UHFFFAOYSA-N
MW2643.79 g/mol
LogP48.57
Rot. Bonds36

About 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium (PubChem CID 158435991) has the molecular formula C176H196IrN10-2 and a molecular weight of 2643.79 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium
PubChem CID158435991
Molecular FormulaC176H196IrN10-2
Molecular Weight2643.79 g/mol
Exact Mass2642.53
IUPAC Name1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCc1ccc(C2(c3ccc(-c4cc[c-]c(-c5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cn5)c4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.[Ir]
InChIInChI=1S/C67H65N4.C44H52N2.C34H33N4.C31H46.Ir/c1-10-11-12-13-15-46-20-29-55(30-21-46)67(59-40-44(2)18-37-57(59)58-38-19-45(3)41-60(58)67)56-35-22-47(23-36-56)50-16-14-17-51(42-50)61-39-28-52(43-68-61)64-70-62(48-24-31-53(32-25-48)65(4,5)6)69-63(71-64)49-26-33-54(34-27-49)66(7,8)9;1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;/h14,16,18-43H,10-13,15H2,1-9H3;13-28H,1-12H3;7-10,12-22H,1-6H3;17-20,23-24H,5-16,21-22H2,1-4H3;/q-1;;-1;;
InChIKeyFSZZKVHWSWEHTR-UHFFFAOYSA-N
XLogP48.57
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002643.79
LogP ≤ 548.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium with MolForge

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Related Compounds

9-[4-[3-[6-Phenyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-3,6-dipyridin-2-ylcarbazole
CID 67949352
N-(9,9-dimethylfluoren-2-yl)-9-(4-fluorophenyl)-N-pyrimidin-4-ylcarbazol-3-amine
CID 71174838
6-[6-(7-Fluoro-9,10-diphenylanthracen-1-yl)-3-pyridinyl]-9-(3-hexyl-5-pyridin-3-ylphenyl)pyrido[2,3-b]indole
CID 88886668
N-[4-[(E)-2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine
CID 89550839
6-[3-[4-(7-Fluorophenanthren-2-yl)-6-pyridin-3-yl-2-pyridinyl]phenyl]-9-pyridin-4-ylpyrido[2,3-b]indole
CID 89889188
N-(4-tert-butylphenyl)-2-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-N-(4-fluorophenyl)pyrimidin-5-amine
CID 117976479
6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 118857297
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-[4-fluoro-6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-1,3,5-triazin-2-yl]-3,4-dihydro-2H-quinoline
CID 118857317
9-[4-[1-(2,2-Difluoro-1,1,3,3-tetramethylinden-5-yl)isoquinolin-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 118857338
2,4-Bis(9,9-dimethylfluoren-2-yl)-6-[5-(fluoromethyl)-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine
CID 118857404
N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]-N-(2-fluorophenyl)pyridin-2-amine
CID 123708309
1'-fluoro-5-N,17-N,9-triphenyl-5-N,17-N-dipyridin-2-ylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-14,9'-fluorene]-5,17-diamine
CID 124097834

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium?
The IUPAC name of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium (CID 158435991) is 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium?
The canonical SMILES for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cccc4)nc3)n2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(C)cc21.CCCCCCc1ccc(C2(c3ccc(-c4cc[c-]c(-c5ccc(-c6nc(-c7ccc(C(C)(C)C)cc7)nc(-c7ccc(C(C)(C)C)cc7)n6)cn5)c4)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C)cc3)c3c(C)cc(C(C)(C)C)cc3C)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.[Ir].
What is the InChIKey of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium?
The InChIKey is FSZZKVHWSWEHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H65N4.C44H52N2.C34H33N4.C31H46.Ir/c1-10-11-12-13-15-46-20-29-55(30-21-46)67(59-40-44(2)18-37-57(59)58-38-19-45(3)41-60(58)67)56-35-22-47(23-36-56)50-16-14-17-51(42-50)61-39-28-52(43-68-61)64-70-62(48-24-31-53(32-25-48)65(4,5)6)69-63(71-64)49-26-33-54(34-27-49)66(7,8)9;1-29-13-17-37(18-14-29)45(41-31(3)25-35(26-32(41)4)43(7,8)9)39-21-23-40(24-22-39)46(38-19-15-30(2)16-20-38)42-33(5)27-36(28-34(42)6)44(10,11)12;1-33(2,3)27-17-12-24(13-18-27)30-36-31(25-14-19-28(20-15-25)34(4,5)6)38-32(37-30)26-16-21-29(35-22-26)23-10-8-7-9-11-23;1-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-2)29-23-25(3)17-19-27(29)28-20-18-26(4)24-30(28)31;/h14,16,18-43H,10-13,15H2,1-9H3;13-28H,1-12H3;7-10,12-22H,1-6H3;17-20,23-24H,5-16,21-22H2,1-4H3;/q-1;;-1;;.
What are the key properties of 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium?
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium has a molecular weight of 2643.79 g/mol, XLogP of 48.57, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium is sourced from PubChem (CID 158435991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).