9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine

C163H194IrN3O10- — CID 59348593

IUPAC9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7c(c6)Oc6cc(C)ccc6N7c6ccc(-c7ccc(CCCCCCC)cc7)cc6)ccc4N5CCCCCC(O)CC(C)O)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(C)ccc6-5)c5cc(OCCCCCCCC)c(OCCCCCCCC)cc5-c5cc(OCCCCCCCC)c(OCCCCCCCC)cc54)cc32)cc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C152H186N2O10.C11H8N.Ir/c1-11-18-25-32-39-49-90-157-125-77-71-121(72-78-125)151(122-73-79-126(80-74-122)158-91-50-40-33-26-19-12-2)134-99-115(116-66-84-130-127-81-57-109(8)96-133(127)152(136(130)101-116)137-107-149(161-94-53-43-36-29-22-15-5)147(159-92-51-41-34-27-20-13-3)105-131(137)132-106-148(160-93-52-42-35-28-21-14-4)150(108-138(132)152)162-95-54-44-37-30-23-16-6)65-82-128(134)129-83-67-117(100-135(129)151)118-68-86-139-144(102-118)164-145-103-119(69-87-140(145)153(139)89-48-45-47-56-124(156)98-111(10)155)120-70-88-142-146(104-120)163-143-97-110(9)58-85-141(143)154(142)123-75-63-114(64-76-123)113-61-59-112(60-62-113)55-46-38-31-24-17-7;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h57-88,96-97,99-108,111,124,155-156H,11-56,89-95,98H2,1-10H3;1-6,8-9H;/q;-1;
InChIKeySBZGJVTUIHDNBI-UHFFFAOYSA-N
MW2547.57 g/mol
LogP45.68
Rot. Bonds70

About 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine

9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine (PubChem CID 59348593) has the molecular formula C163H194IrN3O10- and a molecular weight of 2547.57 g/mol. Its IUPAC name is 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine.

Molecular Properties

Compound Name9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine
PubChem CID59348593
Molecular FormulaC163H194IrN3O10-
Molecular Weight2547.57 g/mol
Exact Mass2546.44
IUPAC Name9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine
SMILESCCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7c(c6)Oc6cc(C)ccc6N7c6ccc(-c7ccc(CCCCCCC)cc7)cc6)ccc4N5CCCCCC(O)CC(C)O)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(C)ccc6-5)c5cc(OCCCCCCCC)c(OCCCCCCCC)cc5-c5cc(OCCCCCCCC)c(OCCCCCCCC)cc54)cc32)cc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C152H186N2O10.C11H8N.Ir/c1-11-18-25-32-39-49-90-157-125-77-71-121(72-78-125)151(122-73-79-126(80-74-122)158-91-50-40-33-26-19-12-2)134-99-115(116-66-84-130-127-81-57-109(8)96-133(127)152(136(130)101-116)137-107-149(161-94-53-43-36-29-22-15-5)147(159-92-51-41-34-27-20-13-3)105-131(137)132-106-148(160-93-52-42-35-28-21-14-4)150(108-138(132)152)162-95-54-44-37-30-23-16-6)65-82-128(134)129-83-67-117(100-135(129)151)118-68-86-139-144(102-118)164-145-103-119(69-87-140(145)153(139)89-48-45-47-56-124(156)98-111(10)155)120-70-88-142-146(104-120)163-143-97-110(9)58-85-141(143)154(142)123-75-63-114(64-76-123)113-61-59-112(60-62-113)55-46-38-31-24-17-7;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h57-88,96-97,99-108,111,124,155-156H,11-56,89-95,98H2,1-10H3;1-6,8-9H;/q;-1;
InChIKeySBZGJVTUIHDNBI-UHFFFAOYSA-N
XLogP45.68
TPSA133.67 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds70
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002547.57
LogP ≤ 545.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;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

1-[3-[2',3'-Bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 58240104
Iridium;3-methyl-7-[7-(7'-methyl-2-octa-1,3,5,7-tetraynoxy-3,6,7-trioctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]-10-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)oxybutyl]phenoxazine;1-phenylisoquinoline
CID 59348583
Iridium;9-[3-methyl-7-[7-(7'-methyl-2-octa-1,3,5,7-tetraynoxy-3,6,7-trioctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;2-phenylpyridine
CID 59348588
10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl]phenoxazine;iridium;2-phenylpyridine
CID 59760548
10-[4-(4-Heptylphenyl)phenyl]-3-methyl-7-[7-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[fluorene-9,5'-indeno[1,2-b]pyridine]-2-yl]phenoxazine
CID 59760549
10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;iridium;2-phenylpyridine
CID 59760551
10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-[7'-[7-methyl-9,9-bis(4-octoxyphenyl)fluoren-2-yl]spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl]phenoxazine;iridium;1-phenylisoquinoline
CID 59760554
10-[4-(4-heptylphenyl)phenyl]-3-methyl-7-(7'-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]-2'-yl)phenoxazine;iridium;1-phenylisoquinoline
CID 59760557
iridium;2'-methyl-7'-(7'-methyl-3,6-dioctoxy-9,9'-spirobi[fluorene]-2'-yl)spiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene];1-phenylisoquinoline
CID 59760563
2-[2-[2-[[4-[9-[3-(Dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-(5-methyl-2-pyridinyl)fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol
CID 68116739
10-(3-Isoquinolin-1-yl-4-methylphenyl)-3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenoxazine
CID 118242463
9-(4-Pyridin-2-ylphenyl)-3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylcarbazole
CID 129309079

Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine?
The IUPAC name of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine (CID 59348593) is 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine.
What is the SMILES notation for 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine?
The canonical SMILES for 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine is CCCCCCCCOc1ccc(C2(c3ccc(OCCCCCCCC)cc3)c3cc(-c4ccc5c(c4)Oc4cc(-c6ccc7c(c6)Oc6cc(C)ccc6N7c6ccc(-c7ccc(CCCCCCC)cc7)cc6)ccc4N5CCCCCC(O)CC(C)O)ccc3-c3ccc(-c4ccc5c(c4)C4(c6cc(C)ccc6-5)c5cc(OCCCCCCCC)c(OCCCCCCCC)cc5-c5cc(OCCCCCCCC)c(OCCCCCCCC)cc54)cc32)cc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine?
The InChIKey is SBZGJVTUIHDNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H186N2O10.C11H8N.Ir/c1-11-18-25-32-39-49-90-157-125-77-71-121(72-78-125)151(122-73-79-126(80-74-122)158-91-50-40-33-26-19-12-2)134-99-115(116-66-84-130-127-81-57-109(8)96-133(127)152(136(130)101-116)137-107-149(161-94-53-43-36-29-22-15-5)147(159-92-51-41-34-27-20-13-3)105-131(137)132-106-148(160-93-52-42-35-28-21-14-4)150(108-138(132)152)162-95-54-44-37-30-23-16-6)65-82-128(134)129-83-67-117(100-135(129)151)118-68-86-139-144(102-118)164-145-103-119(69-87-140(145)153(139)89-48-45-47-56-124(156)98-111(10)155)120-70-88-142-146(104-120)163-143-97-110(9)58-85-141(143)154(142)123-75-63-114(64-76-123)113-61-59-112(60-62-113)55-46-38-31-24-17-7;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h57-88,96-97,99-108,111,124,155-156H,11-56,89-95,98H2,1-10H3;1-6,8-9H;/q;-1;.
What are the key properties of 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine?
9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine has a molecular weight of 2547.57 g/mol, XLogP of 45.68, 70 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol;iridium;2-phenylpyridine is sourced from PubChem (CID 59348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).