10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)

C146H129Ir2N5O3-4 — CID 157316782

IUPAC10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C4(c6ccc[c-]c6-c6ncccc64)c4cc(C)ccc4-5)cc32)cc1.CCCCCCCc1ccc(-c2ccc(N3c4ccc(C)cc4Oc4cc(-c5ccc6c(c5)C5(c7ccc[c-]c7-c7ncccc75)c5cc(C)ccc5-6)ccc43)cc2)cc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C67H66NO2.C57H47N2O.2C11H8N.2Ir/c1-5-7-9-11-13-17-40-69-52-31-27-50(28-32-52)66(51-29-33-53(34-30-51)70-41-18-14-12-10-8-6-2)61-42-46(3)23-35-54(61)56-37-25-48(44-63(56)66)49-26-38-57-55-36-24-47(4)43-62(55)67(64(57)45-49)59-21-16-15-20-58(59)65-60(67)22-19-39-68-65;1-4-5-6-7-8-12-39-18-20-40(21-19-39)41-22-26-44(27-23-41)59-52-30-17-38(3)34-54(52)60-55-36-43(25-31-53(55)59)42-24-29-46-45-28-16-37(2)33-50(45)57(51(46)35-42)48-14-10-9-13-47(48)56-49(57)15-11-32-58-56;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h15-16,19,21-39,42-45H,5-14,17-18,40-41H2,1-4H3;9-11,14-36H,4-8,12H2,1-3H3;2*1-6,8-9H;;/q4*-1;;
InChIKeyADNYNEQCAJBTNL-UHFFFAOYSA-N
MW2386.10 g/mol
LogP37.71
Rot. Bonds30

About 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)

10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine) (PubChem CID 157316782) has the molecular formula C146H129Ir2N5O3-4 and a molecular weight of 2386.10 g/mol. Its IUPAC name is 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine).

Molecular Properties

Compound Name10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)
PubChem CID157316782
Molecular FormulaC146H129Ir2N5O3-4
Molecular Weight2386.10 g/mol
Exact Mass2385.94
IUPAC Name10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C4(c6ccc[c-]c6-c6ncccc64)c4cc(C)ccc4-5)cc32)cc1.CCCCCCCc1ccc(-c2ccc(N3c4ccc(C)cc4Oc4cc(-c5ccc6c(c5)C5(c7ccc[c-]c7-c7ncccc75)c5cc(C)ccc5-6)ccc43)cc2)cc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C67H66NO2.C57H47N2O.2C11H8N.2Ir/c1-5-7-9-11-13-17-40-69-52-31-27-50(28-32-52)66(51-29-33-53(34-30-51)70-41-18-14-12-10-8-6-2)61-42-46(3)23-35-54(61)56-37-25-48(44-63(56)66)49-26-38-57-55-36-24-47(4)43-62(55)67(64(57)45-49)59-21-16-15-20-58(59)65-60(67)22-19-39-68-65;1-4-5-6-7-8-12-39-18-20-40(21-19-39)41-22-26-44(27-23-41)59-52-30-17-38(3)34-54(52)60-55-36-43(25-31-53(55)59)42-24-29-46-45-28-16-37(2)33-50(45)57(51(46)35-42)48-14-10-9-13-47(48)56-49(57)15-11-32-58-56;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h15-16,19,21-39,42-45H,5-14,17-18,40-41H2,1-4H3;9-11,14-36H,4-8,12H2,1-3H3;2*1-6,8-9H;;/q4*-1;;
InChIKeyADNYNEQCAJBTNL-UHFFFAOYSA-N
XLogP37.71
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002386.10
LogP ≤ 537.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)?
The IUPAC name of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine) (CID 157316782) is 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine).
What is the SMILES notation for 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)?
The canonical SMILES for 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine) is CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C4(c6ccc[c-]c6-c6ncccc64)c4cc(C)ccc4-5)cc32)cc1.CCCCCCCc1ccc(-c2ccc(N3c4ccc(C)cc4Oc4cc(-c5ccc6c(c5)C5(c7ccc[c-]c7-c7ncccc75)c5cc(C)ccc5-6)ccc43)cc2)cc1.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)?
The InChIKey is ADNYNEQCAJBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H66NO2.C57H47N2O.2C11H8N.2Ir/c1-5-7-9-11-13-17-40-69-52-31-27-50(28-32-52)66(51-29-33-53(34-30-51)70-41-18-14-12-10-8-6-2)61-42-46(3)23-35-54(61)56-37-25-48(44-63(56)66)49-26-38-57-55-36-24-47(4)43-62(55)67(64(57)45-49)59-21-16-15-20-58(59)65-60(67)22-19-39-68-65;1-4-5-6-7-8-12-39-18-20-40(21-19-39)41-22-26-44(27-23-41)59-52-30-17-38(3)34-54(52)60-55-36-43(25-31-53(55)59)42-24-29-46-45-28-16-37(2)33-50(45)57(51(46)35-42)48-14-10-9-13-47(48)56-49(57)15-11-32-58-56;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h15-16,19,21-39,42-45H,5-14,17-18,40-41H2,1-4H3;9-11,14-36H,4-8,12H2,1-3H3;2*1-6,8-9H;;/q4*-1;;.
What are the key properties of 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine)?
10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine) has a molecular weight of 2386.10 g/mol, XLogP of 37.71, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;bis(iridium);2'-methyl-7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];bis(2-phenylpyridine) is sourced from PubChem (CID 157316782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).