3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole

C115H81Ir4N15-4 — CID 160999388

IUPAC3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(-c2cccc(-n3c4ccncc4c4cnccc43)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[c-]1ccccc1-c1nccn1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C35H26N3.C33H24N5.C27H18N3.C20H13N4.4Ir/c1-24-21-28(22-25(2)34(24)37-20-19-36-35(37)26-11-5-3-6-12-26)27-17-18-33-31(23-27)30-15-9-10-16-32(30)38(33)29-13-7-4-8-14-29;1-22-17-26(18-23(2)32(22)37-16-15-36-33(37)24-7-4-3-5-8-24)25-9-6-10-27(19-25)38-30-11-13-34-20-28(30)29-21-35-14-12-31(29)38;1-3-9-20(10-4-1)27-28-17-18-29(27)22-15-16-26-24(19-22)23-13-7-8-14-25(23)30(26)21-11-5-2-6-12-21;1-2-7-15(8-3-1)20-22-13-14-23(20)24-17-10-5-4-9-16(17)19-18(24)11-6-12-21-19;;;;/h3-11,13-23H,1-2H3;3-7,9-21H,1-2H3;1-9,11-19H;1-7,9-14H;;;;/q4*-1;;;;
InChIKeyQOWDDYCMPNAFPG-UHFFFAOYSA-N
MW2441.89 g/mol
LogP26.82
Rot. Bonds13

About 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole

3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole (PubChem CID 160999388) has the molecular formula C115H81Ir4N15-4 and a molecular weight of 2441.89 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole.

Molecular Properties

Compound Name3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole
PubChem CID160999388
Molecular FormulaC115H81Ir4N15-4
Molecular Weight2441.89 g/mol
Exact Mass2443.53
IUPAC Name3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(-c2cccc(-n3c4ccncc4c4cnccc43)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[c-]1ccccc1-c1nccn1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C35H26N3.C33H24N5.C27H18N3.C20H13N4.4Ir/c1-24-21-28(22-25(2)34(24)37-20-19-36-35(37)26-11-5-3-6-12-26)27-17-18-33-31(23-27)30-15-9-10-16-32(30)38(33)29-13-7-4-8-14-29;1-22-17-26(18-23(2)32(22)37-16-15-36-33(37)24-7-4-3-5-8-24)25-9-6-10-27(19-25)38-30-11-13-34-20-28(30)29-21-35-14-12-31(29)38;1-3-9-20(10-4-1)27-28-17-18-29(27)22-15-16-26-24(19-22)23-13-7-8-14-25(23)30(26)21-11-5-2-6-12-21;1-2-7-15(8-3-1)20-22-13-14-23(20)24-17-10-5-4-9-16(17)19-18(24)11-6-12-21-19;;;;/h3-11,13-23H,1-2H3;3-7,9-21H,1-2H3;1-9,11-19H;1-7,9-14H;;;;/q4*-1;;;;
InChIKeyQOWDDYCMPNAFPG-UHFFFAOYSA-N
XLogP26.82
TPSA129.67 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002441.89
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588
8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole;iridium;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 158287968
5-[3-[6-[5-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 58099053
iridium(3+);5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-8-[7-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]pyrido[3,2-b]indole;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 59196729
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
CID 140820363
6-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]-9-phenylpyrido[2,3-b]indole;5-phenyl-8-[3-[3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrido[3,2-b]indole;5-phenyl-8-[3-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-9-yl]pyrido[3,2-b]indole;5-phenyl-8-[8-[5-(5-phenylpyrido[4,3-b]indol-8-yl)pyrido[4,3-b]indol-8-yl]pyrido[4,3-b]indol-5-yl]pyrido[4,3-b]indole
CID 158594485
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
ethane;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;9-methyl-3-phenylcarbazole;5-methyl-8-phenylpyrido[3,2-b]indole;5-methyl-8-phenylpyrido[4,3-b]indole;9-methyl-6-phenylpyrido[2,3-b]indole;heptakis(pyridine)
CID 161459546

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole?
The IUPAC name of 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole (CID 160999388) is 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole.
What is the SMILES notation for 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole?
The canonical SMILES for 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cccc1.Cc1cc(-c2cccc(-n3c4ccncc4c4cnccc43)c2)cc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nccn1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.[c-]1ccccc1-c1nccn1-n1c2ccccc2c2ncccc21.
What is the InChIKey of 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole?
The InChIKey is QOWDDYCMPNAFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N3.C33H24N5.C27H18N3.C20H13N4.4Ir/c1-24-21-28(22-25(2)34(24)37-20-19-36-35(37)26-11-5-3-6-12-26)27-17-18-33-31(23-27)30-15-9-10-16-32(30)38(33)29-13-7-4-8-14-29;1-22-17-26(18-23(2)32(22)37-16-15-36-33(37)24-7-4-3-5-8-24)25-9-6-10-27(19-25)38-30-11-13-34-20-28(30)29-21-35-14-12-31(29)38;1-3-9-20(10-4-1)27-28-17-18-29(27)22-15-16-26-24(19-22)23-13-7-8-14-25(23)30(26)21-11-5-2-6-12-21;1-2-7-15(8-3-1)20-22-13-14-23(20)24-17-10-5-4-9-16(17)19-18(24)11-6-12-21-19;;;;/h3-11,13-23H,1-2H3;3-7,9-21H,1-2H3;1-9,11-19H;1-7,9-14H;;;;/q4*-1;;;;.
What are the key properties of 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole?
3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole has a molecular weight of 2441.89 g/mol, XLogP of 26.82, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]-9-phenylcarbazole;8-[3-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;tetrakis(iridium);5-(2-phenylimidazol-1-yl)pyrido[3,2-b]indole;9-phenyl-3-(2-phenylimidazol-1-yl)carbazole is sourced from PubChem (CID 160999388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).