2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)

C73H90Ir2N4O2S2-2 — CID 158751662

IUPAC2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
SMILESC=C=C=C=C=C=C=CC1(CCCCCCCC)c2cc(-c3ccc(O)c(/C=N/CCCCCC)c3)ccc2-c2ccc(-c3ccc(O)c(/C=N/CCCCCC)c3)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C55H62N2O2.2C9H6NS.2Ir.8H2/c1-5-9-13-17-19-21-33-55(34-22-20-18-14-10-6-2)51-39-45(43-27-31-53(58)47(37-43)41-56-35-23-15-11-7-3)25-29-49(51)50-30-26-46(40-52(50)55)44-28-32-54(59)48(38-44)42-57-36-24-16-12-8-4;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;;;;;;;;;/h25-33,37-42,58-59H,1,6-8,10-12,14-16,18,20,22-24,34-36H2,2-4H3;2*1-4,6-7H;;;8*1H/q;2*-1;;;;;;;;;;/b56-41+,57-42+;;;;;;;;;;;;
InChIKeyLZCWKKXGOJHCQA-LIQBRBGXSA-N
MW1504.12 g/mol
LogP21.75
Rot. Bonds24

About 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)

2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine) (PubChem CID 158751662) has the molecular formula C73H90Ir2N4O2S2-2 and a molecular weight of 1504.12 g/mol. Its IUPAC name is 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine).

Molecular Properties

Compound Name2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
PubChem CID158751662
Molecular FormulaC73H90Ir2N4O2S2-2
Molecular Weight1504.12 g/mol
Exact Mass1504.58
IUPAC Name2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)
SMILESC=C=C=C=C=C=C=CC1(CCCCCCCC)c2cc(-c3ccc(O)c(/C=N/CCCCCC)c3)ccc2-c2ccc(-c3ccc(O)c(/C=N/CCCCCC)c3)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
InChIInChI=1S/C55H62N2O2.2C9H6NS.2Ir.8H2/c1-5-9-13-17-19-21-33-55(34-22-20-18-14-10-6-2)51-39-45(43-27-31-53(58)47(37-43)41-56-35-23-15-11-7-3)25-29-49(51)50-30-26-46(40-52(50)55)44-28-32-54(59)48(38-44)42-57-36-24-16-12-8-4;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;;;;;;;;;/h25-33,37-42,58-59H,1,6-8,10-12,14-16,18,20,22-24,34-36H2,2-4H3;2*1-4,6-7H;;;8*1H/q;2*-1;;;;;;;;;;/b56-41+,57-42+;;;;;;;;;;;;
InChIKeyLZCWKKXGOJHCQA-LIQBRBGXSA-N
XLogP21.75
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.12
LogP ≤ 521.75
H-Bond Donors ≤ 52
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine) with MolForge

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Related Compounds

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Bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium)
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Frequently Asked Questions

What is the IUPAC name of 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?
The IUPAC name of 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine) (CID 158751662) is 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine).
What is the SMILES notation for 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?
The canonical SMILES for 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine) is C=C=C=C=C=C=C=CC1(CCCCCCCC)c2cc(-c3ccc(O)c(/C=N/CCCCCC)c3)ccc2-c2ccc(-c3ccc(O)c(/C=N/CCCCCC)c3)cc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[Ir].[Ir].[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.
What is the InChIKey of 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?
The InChIKey is LZCWKKXGOJHCQA-LIQBRBGXSA-N. The full InChI is InChI=1S/C55H62N2O2.2C9H6NS.2Ir.8H2/c1-5-9-13-17-19-21-33-55(34-22-20-18-14-10-6-2)51-39-45(43-27-31-53(58)47(37-43)41-56-35-23-15-11-7-3)25-29-49(51)50-30-26-46(40-52(50)55)44-28-32-54(59)48(38-44)42-57-36-24-16-12-8-4;2*1-2-6-10-8(4-1)9-5-3-7-11-9;;;;;;;;;;/h25-33,37-42,58-59H,1,6-8,10-12,14-16,18,20,22-24,34-36H2,2-4H3;2*1-4,6-7H;;;8*1H/q;2*-1;;;;;;;;;;/b56-41+,57-42+;;;;;;;;;;;;.
What are the key properties of 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine)?
2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine) has a molecular weight of 1504.12 g/mol, XLogP of 21.75, 24 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexyliminomethyl)-4-[7-[3-(hexyliminomethyl)-4-hydroxyphenyl]-9-octa-1,2,3,4,5,6,7-heptaenyl-9-octylfluoren-2-yl]phenol;bis(iridium);molecular hydrogen;bis(2-(3H-thiophen-3-id-2-yl)pyridine) is sourced from PubChem (CID 158751662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).