2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine

C175H204Br8Ir2N4O4S-2 — CID 162267535

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine
SMILESBrc1ccc2c(c1)C(CCCCCCCCCCn1c3ccccc3c3ccccc31)(CCCCCCCCCCn1c3ccccc3c3ccccc31)c1cc(Br)ccc1-2.CCCCCCC1(CCCCCCCCCCC(=O)CC(C)=O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(=O)CC(C)=O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C57H62Br2N2.2C33H44Br2O2.C28H38Br2.C13H8NS.C11H8N.2Ir/c58-43-33-35-45-46-36-34-44(59)42-52(46)57(51(45)41-43,37-21-9-5-1-3-7-11-23-39-60-53-29-17-13-25-47(53)48-26-14-18-30-54(48)60)38-22-10-6-2-4-8-12-24-40-61-55-31-19-15-27-49(55)50-28-16-20-32-56(50)61;2*1-3-4-5-13-20-33(21-14-11-9-7-6-8-10-12-15-28(37)22-25(2)36)31-23-26(34)16-18-29(31)30-19-17-27(35)24-32(30)33;1-3-5-7-9-11-13-19-28(18-12-10-8-6-4-2)26-20-22(29)14-16-24(26)25-17-15-23(30)21-27(25)28;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h13-20,25-36,41-42H,1-12,21-24,37-40H2;2*16-19,23-24H,3-15,20-22H2,1-2H3;14-17,20-21H,3-13,18-19H2,1-2H3;1-8H;1-6,8-9H;;/q;;;;2*-1;;
InChIKeyJKZVBZBVJWSVDM-UHFFFAOYSA-N
MW3483.31 g/mol
LogP56.81
Rot. Bonds73

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine (PubChem CID 162267535) has the molecular formula C175H204Br8Ir2N4O4S-2 and a molecular weight of 3483.31 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine
PubChem CID162267535
Molecular FormulaC175H204Br8Ir2N4O4S-2
Molecular Weight3483.31 g/mol
Exact Mass3474.83
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine
SMILESBrc1ccc2c(c1)C(CCCCCCCCCCn1c3ccccc3c3ccccc31)(CCCCCCCCCCn1c3ccccc3c3ccccc31)c1cc(Br)ccc1-2.CCCCCCC1(CCCCCCCCCCC(=O)CC(C)=O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(=O)CC(C)=O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C57H62Br2N2.2C33H44Br2O2.C28H38Br2.C13H8NS.C11H8N.2Ir/c58-43-33-35-45-46-36-34-44(59)42-52(46)57(51(45)41-43,37-21-9-5-1-3-7-11-23-39-60-53-29-17-13-25-47(53)48-26-14-18-30-54(48)60)38-22-10-6-2-4-8-12-24-40-61-55-31-19-15-27-49(55)50-28-16-20-32-56(50)61;2*1-3-4-5-13-20-33(21-14-11-9-7-6-8-10-12-15-28(37)22-25(2)36)31-23-26(34)16-18-29(31)30-19-17-27(35)24-32(30)33;1-3-5-7-9-11-13-19-28(18-12-10-8-6-4-2)26-20-22(29)14-16-24(26)25-17-15-23(30)21-27(25)28;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h13-20,25-36,41-42H,1-12,21-24,37-40H2;2*16-19,23-24H,3-15,20-22H2,1-2H3;14-17,20-21H,3-13,18-19H2,1-2H3;1-8H;1-6,8-9H;;/q;;;;2*-1;;
InChIKeyJKZVBZBVJWSVDM-UHFFFAOYSA-N
XLogP56.81
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds73
Heavy Atoms194
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003483.31
LogP ≤ 556.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine with MolForge

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Related Compounds

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione;iridium
CID 21044166
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;14-[2-[9,9-bis(10-carbazol-9-yldecyl)-7-methylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradecane-2,4-dione;iridium
CID 21044169
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-bromo-4-tert-butylbenzene;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione;iridium
CID 162267531
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);14-[2-[9,9-bis(10-carbazol-9-yldecyl)-7-methylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;1-bromo-4-tert-butylbenzene;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol;bis(iridium)
CID 162267532
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine
CID 162267536
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9,9-dioctylfluorene;bis(12-(2,7-dibromo-9-hexylfluoren-9-yl)dodec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine
CID 162267537
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane;14-[2-[7-[9-(11,13-dioxotetradecyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradecane-2,4-dione;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)
CID 162273869
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine
CID 162290425

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine (CID 162267535) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine is Brc1ccc2c(c1)C(CCCCCCCCCCn1c3ccccc3c3ccccc31)(CCCCCCCCCCn1c3ccccc3c3ccccc31)c1cc(Br)ccc1-2.CCCCCCC1(CCCCCCCCCCC(=O)CC(C)=O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCC1(CCCCCCCCCCC(=O)CC(C)=O)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine?
The InChIKey is JKZVBZBVJWSVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62Br2N2.2C33H44Br2O2.C28H38Br2.C13H8NS.C11H8N.2Ir/c58-43-33-35-45-46-36-34-44(59)42-52(46)57(51(45)41-43,37-21-9-5-1-3-7-11-23-39-60-53-29-17-13-25-47(53)48-26-14-18-30-54(48)60)38-22-10-6-2-4-8-12-24-40-61-55-31-19-15-27-49(55)50-28-16-20-32-56(50)61;2*1-3-4-5-13-20-33(21-14-11-9-7-6-8-10-12-15-28(37)22-25(2)36)31-23-26(34)16-18-29(31)30-19-17-27(35)24-32(30)33;1-3-5-7-9-11-13-19-28(18-12-10-8-6-4-2)26-20-22(29)14-16-24(26)25-17-15-23(30)21-27(25)28;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h13-20,25-36,41-42H,1-12,21-24,37-40H2;2*16-19,23-24H,3-15,20-22H2,1-2H3;14-17,20-21H,3-13,18-19H2,1-2H3;1-8H;1-6,8-9H;;/q;;;;2*-1;;.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine has a molecular weight of 3483.31 g/mol, XLogP of 56.81, 73 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;9-[10-[2,7-dibromo-9-(10-carbazol-9-yldecyl)fluoren-9-yl]decyl]carbazole;2,7-dibromo-9-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine is sourced from PubChem (CID 162267535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).