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

C176H210Br8Ir2N4O4S-2 — CID 162267536

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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C57H62Br2N2.2C33H46Br2O2.C29H40Br2.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;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;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*16-19,22-25,36-37H,3-15,20-21H2,1-2H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-8H;1-6,8-9H;;/q;;;;2*-1;;
InChIKeyFQORPHPOGAPWBA-UHFFFAOYSA-N
MW3501.37 g/mol
LogP57.75
Rot. Bonds72

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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine (PubChem CID 162267536) has the molecular formula C176H210Br8Ir2N4O4S-2 and a molecular weight of 3501.37 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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine
PubChem CID162267536
Molecular FormulaC176H210Br8Ir2N4O4S-2
Molecular Weight3501.37 g/mol
Exact Mass3492.88
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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.[Ir].[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C57H62Br2N2.2C33H46Br2O2.C29H40Br2.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;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;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*16-19,22-25,36-37H,3-15,20-21H2,1-2H3;15-18,21-22H,3-14,19-20H2,1-2H3;1-8H;1-6,8-9H;;/q;;;;2*-1;;
InChIKeyFQORPHPOGAPWBA-UHFFFAOYSA-N
XLogP57.75
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds72
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003501.37
LogP ≤ 557.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine with MolForge

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Related Compounds

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-diol;iridium
CID 58713547
tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;bis(6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol);3,6-dibromo-9-ethylcarbazole;bis(iridium)
CID 160732593
tetrakis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);N,N-bis(4-bromophenyl)-4-phenylaniline;1-bromo-2-(2-bromophenyl)benzene;1-bromo-3-(3-bromophenyl)benzene;6-(2-bromo-7-methyl-9-octylfluoren-9-yl)hexane-2,4-diol;1-(2-bromo-7-methyl-9-octylfluoren-9-yl)pentane-2,4-diol;3,6-dibromo-9-ethylcarbazole;bis(iridium)
CID 161160059
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-heptyl-9-octylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradecane-2,4-dione);bis(iridium);2-phenylpyridine
CID 162267535
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
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;iridium;2-phenyl-1,3,2-dioxaborinane
CID 162273866
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);1-bromo-4-tert-butylbenzene;2,7-dibromo-9,9-dihexylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);14-[2-[7-[9-(11,13-dihydroxytetradec-11-enyl)-9-hexyl-7-methylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-9-hexyl-7-methylfluoren-9-yl]tetradec-3-ene-2,4-diol;2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-dioxaborinane;tetrakis(iridium);2-phenyl-1,3,2-dioxaborinane;bis(2-phenylpyridine)
CID 162273867
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;iridium
CID 162290426

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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine (CID 162267536) 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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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(CCCCCCCC)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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine?
The InChIKey is FQORPHPOGAPWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62Br2N2.2C33H46Br2O2.C29H40Br2.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;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;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*16-19,22-25,36-37H,3-15,20-21H2,1-2H3;15-18,21-22H,3-14,19-20H2,1-2H3;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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine has a molecular weight of 3501.37 g/mol, XLogP of 57.75, 72 rotatable bonds, 4 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-9,9-dioctylfluorene;bis(14-(2,7-dibromo-9-hexylfluoren-9-yl)tetradec-3-ene-2,4-diol);bis(iridium);2-phenylpyridine is sourced from PubChem (CID 162267536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).