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);bis(2-phenylpyridine)

C77H78Ir2N4O2-2 — CID 135967428

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);bis(2-phenylpyridine)
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.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C55H62N2O2.2C11H8N.2Ir/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(7-3-1)11-8-4-5-9-12-11;;/h25-33,37-42,58-59H,1,6-8,10-12,14-16,18,20,22-24,34-36H2,2-4H3;2*1-6,8-9H;;/q;2*-1;;/b56-41+,57-42+;;;;
InChIKeyLUUBNWRWOXBMGU-OWLYGWQLSA-N
MW1475.93 g/mol
LogP19.66
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);bis(2-phenylpyridine)

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);bis(2-phenylpyridine) (PubChem CID 135967428) has the molecular formula C77H78Ir2N4O2-2 and a molecular weight of 1475.93 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);bis(2-phenylpyridine).

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);bis(2-phenylpyridine)
PubChem CID135967428
Molecular FormulaC77H78Ir2N4O2-2
Molecular Weight1475.93 g/mol
Exact Mass1476.54
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);bis(2-phenylpyridine)
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.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C55H62N2O2.2C11H8N.2Ir/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(7-3-1)11-8-4-5-9-12-11;;/h25-33,37-42,58-59H,1,6-8,10-12,14-16,18,20,22-24,34-36H2,2-4H3;2*1-6,8-9H;;/q;2*-1;;/b56-41+,57-42+;;;;
InChIKeyLUUBNWRWOXBMGU-OWLYGWQLSA-N
XLogP19.66
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001475.93
LogP ≤ 519.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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);bis(2-phenylpyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10S)-10-methyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,14(19),15,17-hexaen-17-ol
CID 44403838
2-(4-pyridin-2-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 137133265
2-(4-pyridin-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 137133266
2-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 137133267
4-(2-pyridin-4-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 137303084
4-(2-pyridin-2-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 137316354
4-(2-pyridin-3-yl-5H-indeno[1,2-b]pyridin-4-yl)phenol
CID 137316366
(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
2,4-Ditert-butyl-6-pyridin-2-ylphenol
CID 139118275
Platinum;2-[[3-(6-pyridin-2-yl-2-pyridinyl)-5-[2,4,6-tris(trifluoromethyl)phenyl]benzene-2-id-1-yl]methyl]phenol
CID 58004339
2-[[3-[4-Methyl-2,6-bis(trifluoromethyl)phenyl]-5-(6-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]methyl]phenol;platinum
CID 58620926
5,5-Dibutyl-2-(2,4-difluoro-5-pyridin-2-ylphenyl)indeno[1,2-b]pyridin-9-ol
CID 136012910

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);bis(2-phenylpyridine)?
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);bis(2-phenylpyridine) (CID 135967428) 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);bis(2-phenylpyridine).
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);bis(2-phenylpyridine)?
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);bis(2-phenylpyridine) 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.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-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);bis(2-phenylpyridine)?
The InChIKey is LUUBNWRWOXBMGU-OWLYGWQLSA-N. The full InChI is InChI=1S/C55H62N2O2.2C11H8N.2Ir/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(7-3-1)11-8-4-5-9-12-11;;/h25-33,37-42,58-59H,1,6-8,10-12,14-16,18,20,22-24,34-36H2,2-4H3;2*1-6,8-9H;;/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);bis(2-phenylpyridine)?
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);bis(2-phenylpyridine) has a molecular weight of 1475.93 g/mol, XLogP of 19.66, 24 rotatable bonds, 2 hydrogen bond donors, and 6 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);bis(2-phenylpyridine) is sourced from PubChem (CID 135967428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).