2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine

C271H215Ir2N12O2-3 — CID 163578237

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[C-]#[N+]c1ccc(C)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)c2)c1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1
InChIInChI=1S/C55H40N2.C54H42N2.C48H32N2.C45H34N2.C29H25N2.C18H14N.C11H8N.C11H20O2.2Ir/c1-55(2)51-21-10-8-18-47(51)48-33-32-44(36-52(48)55)56(43-30-25-39(26-31-43)46-20-12-14-38-13-6-7-17-45(38)46)42-28-23-37(24-29-42)40-27-34-54-50(35-40)49-19-9-11-22-53(49)57(54)41-15-4-3-5-16-41;1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37;1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;1-45(2)41-19-11-9-17-37(41)38-27-26-36(30-42(38)45)46(33-13-5-3-6-14-33)35-24-21-31(22-25-35)32-23-28-44-40(29-32)39-18-10-12-20-43(39)47(44)34-15-7-4-8-16-34;1-18-9-19(2)12-23(11-18)28-15-25(27-16-26(30-6)8-7-22(27)5)17-31-29(28)24-13-20(3)10-21(4)14-24;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3-36H,1-2H3;5-34H,1-4H3;1-32H;3-30H,1-2H3;7-13,15-17H,1-5H3;2-10,12-13H,1H3;1-6,8-9H;7,12H,1-6H3;;/q;;;;3*-1;;;
InChIKeyMWNPTONPXJJOAJ-UHFFFAOYSA-N
MW4056.22 g/mol
LogP72.82
Rot. Bonds28

About 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine

2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine (PubChem CID 163578237) has the molecular formula C271H215Ir2N12O2-3 and a molecular weight of 4056.22 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine
PubChem CID163578237
Molecular FormulaC271H215Ir2N12O2-3
Molecular Weight4056.22 g/mol
Exact Mass4054.64
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[C-]#[N+]c1ccc(C)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)c2)c1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1
InChIInChI=1S/C55H40N2.C54H42N2.C48H32N2.C45H34N2.C29H25N2.C18H14N.C11H8N.C11H20O2.2Ir/c1-55(2)51-21-10-8-18-47(51)48-33-32-44(36-52(48)55)56(43-30-25-39(26-31-43)46-20-12-14-38-13-6-7-17-45(38)46)42-28-23-37(24-29-42)40-27-34-54-50(35-40)49-19-9-11-22-53(49)57(54)41-15-4-3-5-16-41;1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37;1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;1-45(2)41-19-11-9-17-37(41)38-27-26-36(30-42(38)45)46(33-13-5-3-6-14-33)35-24-21-31(22-25-35)32-23-28-44-40(29-32)39-18-10-12-20-43(39)47(44)34-15-7-4-8-16-34;1-18-9-19(2)12-23(11-18)28-15-25(27-16-26(30-6)8-7-22(27)5)17-31-29(28)24-13-20(3)10-21(4)14-24;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3-36H,1-2H3;5-34H,1-4H3;1-32H;3-30H,1-2H3;7-13,15-17H,1-5H3;2-10,12-13H,1H3;1-6,8-9H;7,12H,1-6H3;;/q;;;;3*-1;;;
InChIKeyMWNPTONPXJJOAJ-UHFFFAOYSA-N
XLogP72.82
TPSA114.70 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms287
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004056.22
LogP ≤ 572.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine with MolForge

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Related Compounds

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium
CID 161403093
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592
N-(3-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[3-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158769876
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-2-yl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 161359621
N-(4-isocyanophenyl)-9,9-dimethyl-7-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 88534195
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine
CID 158270706
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 89212871
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212856
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159047004

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine (CID 163578237) is 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine.
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[C-]#[N+]c1ccc(C)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)c2)c1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine?
The InChIKey is MWNPTONPXJJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2.C54H42N2.C48H32N2.C45H34N2.C29H25N2.C18H14N.C11H8N.C11H20O2.2Ir/c1-55(2)51-21-10-8-18-47(51)48-33-32-44(36-52(48)55)56(43-30-25-39(26-31-43)46-20-12-14-38-13-6-7-17-45(38)46)42-28-23-37(24-29-42)40-27-34-54-50(35-40)49-19-9-11-22-53(49)57(54)41-15-4-3-5-16-41;1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37;1-3-12-33(13-4-1)35-22-26-39(27-23-35)49-45-20-9-7-18-41(45)43-31-37(24-28-47(43)49)38-25-29-48-44(32-38)42-19-8-10-21-46(42)50(48)40-17-11-16-36(30-40)34-14-5-2-6-15-34;1-45(2)41-19-11-9-17-37(41)38-27-26-36(30-42(38)45)46(33-13-5-3-6-14-33)35-24-21-31(22-25-35)32-23-28-44-40(29-32)39-18-10-12-20-43(39)47(44)34-15-7-4-8-16-34;1-18-9-19(2)12-23(11-18)28-15-25(27-16-26(30-6)8-7-22(27)5)17-31-29(28)24-13-20(3)10-21(4)14-24;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3-36H,1-2H3;5-34H,1-4H3;1-32H;3-30H,1-2H3;7-13,15-17H,1-5H3;2-10,12-13H,1H3;1-6,8-9H;7,12H,1-6H3;;/q;;;;3*-1;;;.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine?
2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine has a molecular weight of 4056.22 g/mol, XLogP of 72.82, 28 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-methylphenyl)pyridine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;2-phenylpyridine is sourced from PubChem (CID 163578237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).