9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine

C119H88F3Ir3N18O3S2-5 — CID 162193603

IUPAC9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
SMILESCC(=O)C=C(C)O.Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccn3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1cc(-n2c3ccccc3c3ccccc32)ccc1-c1nnc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nn1.[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1
InChIInChI=1S/C38H23N6.C28H28NO.C24H17N2.C14H7F3N5.C10H5N4S2.C5H8O2.3Ir/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)43(33)27-21-17-25(18-22-27)37-39-41-38(42-40-37)26-19-23-28(24-20-26)44-35-15-7-3-11-31(35)32-12-4-8-16-36(32)44;1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;15-14(16,17)10-6-4-9(5-7-10)12-19-21-13(22-20-12)11-3-1-2-8-18-11;1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;1-4(6)3-5(2)7;;;/h1-19,21-24H;6,11,13-20H,1-5,7-10H2;2-10,12-16H,1H3;1-4,6-8H;1-3,5-6H;3,6H,1-2H3;;;/q5*-1;;;;
InChIKeyKTBKVJYFSIMJCF-UHFFFAOYSA-N
MW2515.91 g/mol
LogP28.98
Rot. Bonds14

About 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine

9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine (PubChem CID 162193603) has the molecular formula C119H88F3Ir3N18O3S2-5 and a molecular weight of 2515.91 g/mol. Its IUPAC name is 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
PubChem CID162193603
Molecular FormulaC119H88F3Ir3N18O3S2-5
Molecular Weight2515.91 g/mol
Exact Mass2516.56
IUPAC Name9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
SMILESCC(=O)C=C(C)O.Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccn3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1cc(-n2c3ccccc3c3ccccc32)ccc1-c1nnc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nn1.[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1
InChIInChI=1S/C38H23N6.C28H28NO.C24H17N2.C14H7F3N5.C10H5N4S2.C5H8O2.3Ir/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)43(33)27-21-17-25(18-22-27)37-39-41-38(42-40-37)26-19-23-28(24-20-26)44-35-15-7-3-11-31(35)32-12-4-8-16-36(32)44;1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;15-14(16,17)10-6-4-9(5-7-10)12-19-21-13(22-20-12)11-3-1-2-8-18-11;1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;1-4(6)3-5(2)7;;;/h1-19,21-24H;6,11,13-20H,1-5,7-10H2;2-10,12-16H,1H3;1-4,6-8H;1-3,5-6H;3,6H,1-2H3;;;/q5*-1;;;;
InChIKeyKTBKVJYFSIMJCF-UHFFFAOYSA-N
XLogP28.98
TPSA258.58 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002515.91
LogP ≤ 528.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine
CID 153468241
9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;iridium;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 153468266
5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;iridium
CID 153432987
3,5-diphenyl-2-phenylpyrazine;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160805450
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
CID 159156578
4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166573664
bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-phenyl-1,3-benzoxazole;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160844460
8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole
CID 169027648
4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-[4-(2,6-dimethyl-4-pyridinyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166573540
4-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2-pyridinyl]-7-phenyl-3H-[1]benzofuro[2,3-b]carbazol-3-ide;iridium;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 166044015
5-cyclohexyl-2-phenylpyridine;iridium;trimethyl-(6-pyridin-2-yl-7H-dibenzofuran-7-id-4-yl)silane
CID 155608565
9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507900

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
The IUPAC name of 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine (CID 162193603) is 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
The canonical SMILES for 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine is CC(=O)C=C(C)O.Cn1c2ccc(-c3ccccc3)cc2c2cc[c-]c(-c3ccccn3)c21.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccn3)nn2)cc1.[Ir].[Ir].[Ir].[c-]1cc(-n2c3ccccc3c3ccccc32)ccc1-c1nnc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nn1.[c-]1ccc2c(oc3ccc(C4CCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.
What is the InChIKey of 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
The InChIKey is KTBKVJYFSIMJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N6.C28H28NO.C24H17N2.C14H7F3N5.C10H5N4S2.C5H8O2.3Ir/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)43(33)27-21-17-25(18-22-27)37-39-41-38(42-40-37)26-19-23-28(24-20-26)44-35-15-7-3-11-31(35)32-12-4-8-16-36(32)44;1-2-7-20(8-3-1)22-13-15-26(29-18-22)24-12-6-11-23-25-17-21(19-9-4-5-10-19)14-16-27(25)30-28(23)24;1-26-23-14-13-18(17-8-3-2-4-9-17)16-21(23)19-10-7-11-20(24(19)26)22-12-5-6-15-25-22;15-14(16,17)10-6-4-9(5-7-10)12-19-21-13(22-20-12)11-3-1-2-8-18-11;1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;1-4(6)3-5(2)7;;;/h1-19,21-24H;6,11,13-20H,1-5,7-10H2;2-10,12-16H,1H3;1-4,6-8H;1-3,5-6H;3,6H,1-2H3;;;/q5*-1;;;;.
What are the key properties of 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine has a molecular weight of 2515.91 g/mol, XLogP of 28.98, 14 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-1,2,4,5-tetrazin-3-yl]phenyl]carbazole;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-hydroxypent-3-en-2-one;tris(iridium);9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 162193603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).