7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)

C90H90Ir2N2-2 — CID 153422780

IUPAC7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc[c-]c4c3ccc3cc(-c5cccc(-c6cnc7c(ccc8c(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)cc[c-]c87)c6)c5-c5cc(C)cc(C)c5)cnc34)cc21.[Ir].[Ir]
InChIInChI=1S/C90H90N2.2Ir/c1-7-11-15-23-48-89(49-24-16-12-8-2)82-38-21-19-30-76(82)78-46-40-63(57-84(78)89)70-32-27-36-80-74(70)44-42-65-55-68(59-91-87(65)80)72-34-29-35-73(86(72)67-53-61(5)52-62(6)54-67)69-56-66-43-45-75-71(33-28-37-81(75)88(66)92-60-69)64-41-47-79-77-31-20-22-39-83(77)90(85(79)58-64,50-25-17-13-9-3)51-26-18-14-10-4;;/h19-22,27-35,38-47,52-60H,7-18,23-26,48-51H2,1-6H3;;/q-2;;
InChIKeyQBDCEOXIYQCYNB-UHFFFAOYSA-N
MW1584.16 g/mol
LogP26.05
Rot. Bonds25

About 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)

7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium) (PubChem CID 153422780) has the molecular formula C90H90Ir2N2-2 and a molecular weight of 1584.16 g/mol. Its IUPAC name is 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium).

Molecular Properties

Compound Name7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)
PubChem CID153422780
Molecular FormulaC90H90Ir2N2-2
Molecular Weight1584.16 g/mol
Exact Mass1584.64
IUPAC Name7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc[c-]c4c3ccc3cc(-c5cccc(-c6cnc7c(ccc8c(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)cc[c-]c87)c6)c5-c5cc(C)cc(C)c5)cnc34)cc21.[Ir].[Ir]
InChIInChI=1S/C90H90N2.2Ir/c1-7-11-15-23-48-89(49-24-16-12-8-2)82-38-21-19-30-76(82)78-46-40-63(57-84(78)89)70-32-27-36-80-74(70)44-42-65-55-68(59-91-87(65)80)72-34-29-35-73(86(72)67-53-61(5)52-62(6)54-67)69-56-66-43-45-75-71(33-28-37-81(75)88(66)92-60-69)64-41-47-79-77-31-20-22-39-83(77)90(85(79)58-64,50-25-17-13-9-3)51-26-18-14-10-4;;/h19-22,27-35,38-47,52-60H,7-18,23-26,48-51H2,1-6H3;;/q-2;;
InChIKeyQBDCEOXIYQCYNB-UHFFFAOYSA-N
XLogP26.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001584.16
LogP ≤ 526.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium) with MolForge

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Related Compounds

7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline
CID 153422781
1-(9,9-dioctylfluoren-2-yl)-4-methylisoquinoline
CID 140941449
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9-(9,9-dihexylfluoren-2-yl)anthracene
CID 71619170
2,5-bis(9,9-dioctylfluoren-2-yl)-3,6-dihexylpyrazine
CID 59188383
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
4,7-bis(9,9-dioctylfluoren-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole
CID 168726779
4,7-bis(9,9-dioctylfluoren-2-yl)-5,6-dioctoxy-2-octylbenzotriazole
CID 168726796

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)?
The IUPAC name of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium) (CID 153422780) is 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium).
What is the SMILES notation for 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)?
The canonical SMILES for 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium) is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc[c-]c4c3ccc3cc(-c5cccc(-c6cnc7c(ccc8c(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)cc[c-]c87)c6)c5-c5cc(C)cc(C)c5)cnc34)cc21.[Ir].[Ir].
What is the InChIKey of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)?
The InChIKey is QBDCEOXIYQCYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H90N2.2Ir/c1-7-11-15-23-48-89(49-24-16-12-8-2)82-38-21-19-30-76(82)78-46-40-63(57-84(78)89)70-32-27-36-80-74(70)44-42-65-55-68(59-91-87(65)80)72-34-29-35-73(86(72)67-53-61(5)52-62(6)54-67)69-56-66-43-45-75-71(33-28-37-81(75)88(66)92-60-69)64-41-47-79-77-31-20-22-39-83(77)90(85(79)58-64,50-25-17-13-9-3)51-26-18-14-10-4;;/h19-22,27-35,38-47,52-60H,7-18,23-26,48-51H2,1-6H3;;/q-2;;.
What are the key properties of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium)?
7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium) has a molecular weight of 1584.16 g/mol, XLogP of 26.05, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)-10H-benzo[h]quinolin-10-id-3-yl]-2-(3,5-dimethylphenyl)phenyl]-10H-benzo[h]quinolin-10-ide;bis(iridium) is sourced from PubChem (CID 153422780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).