N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine

C79H64IrN4-2 — CID 58793017

IUPACN,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine
SMILESCCC(CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1ccccc1-2.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C68H56N3.C11H8N.Ir/c1-3-49(53-34-41-64-63-23-13-14-24-65(63)68(66(64)45-53)46-55-27-26-54(44-56(55)47-68)67-25-15-16-42-69-67)43-48(2)50-28-35-60(36-29-50)71(59-21-11-6-12-22-59)62-39-32-52(33-40-62)51-30-37-61(38-31-51)70(57-17-7-4-8-18-57)58-19-9-5-10-20-58;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-25,27-42,44-45,48-49H,3,43,46-47H2,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyRLMAGGKTJWMNHA-UHFFFAOYSA-N
MW1261.63 g/mol
LogP20.45
Rot. Bonds14

About N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine

N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine (PubChem CID 58793017) has the molecular formula C79H64IrN4-2 and a molecular weight of 1261.63 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine
PubChem CID58793017
Molecular FormulaC79H64IrN4-2
Molecular Weight1261.63 g/mol
Exact Mass1261.48
IUPAC NameN,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine
SMILESCCC(CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1ccccc1-2.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C68H56N3.C11H8N.Ir/c1-3-49(53-34-41-64-63-23-13-14-24-65(63)68(66(64)45-53)46-55-27-26-54(44-56(55)47-68)67-25-15-16-42-69-67)43-48(2)50-28-35-60(36-29-50)71(59-21-11-6-12-22-59)62-39-32-52(33-40-62)51-30-37-61(38-31-51)70(57-17-7-4-8-18-57)58-19-9-5-10-20-58;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-25,27-42,44-45,48-49H,3,43,46-47H2,1-2H3;1-6,8-9H;/q2*-1;
InChIKeyRLMAGGKTJWMNHA-UHFFFAOYSA-N
XLogP20.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.63
LogP ≤ 520.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine with MolForge

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Related Compounds

4-[4-[4-(9,9-Dimethylfluoren-2-yl)triazol-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 162652616
4-[(Z)-[(1S,3aS,7aS)-1-isoquinolin-7-yl-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-ylidene]methyl]-N,N-dimethylaniline
CID 66559392
CID 168306897
CID 168306897
3-(9,9-Dihexyl-7-pyridin-2-ylfluoren-2-yl)-9-hexylcarbazole
CID 86070330
N,N-diphenyl-7-[2-(4-pyridinyl)ethenyl]-9,9-di-n-decyl-fluoren-2-amine
CID 19078319
9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine
CID 67290137
4-(9,9-Dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
CID 67471921
bis(N,N-dimethyl-2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridin-4-amine);platinum(2+)
CID 57872867
5-[4-[2,4-Dimethyl-6-(trifluoromethyl)phenyl]phenyl]-8-[2-methyl-4-[5-[4-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyrido[4,3-b]indol-8-yl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
CID 58401848
2-(2',7'-diphenylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793047
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
CID 58793129
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793134

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine?
The IUPAC name of N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine (CID 58793017) is N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine.
What is the SMILES notation for N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine?
The canonical SMILES for N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine is CCC(CC(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1ccccc1-2.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine?
The InChIKey is RLMAGGKTJWMNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56N3.C11H8N.Ir/c1-3-49(53-34-41-64-63-23-13-14-24-65(63)68(66(64)45-53)46-55-27-26-54(44-56(55)47-68)67-25-15-16-42-69-67)43-48(2)50-28-35-60(36-29-50)71(59-21-11-6-12-22-59)62-39-32-52(33-40-62)51-30-37-61(38-31-51)70(57-17-7-4-8-18-57)58-19-9-5-10-20-58;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-25,27-42,44-45,48-49H,3,43,46-47H2,1-2H3;1-6,8-9H;/q2*-1;.
What are the key properties of N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine?
N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine has a molecular weight of 1261.63 g/mol, XLogP of 20.45, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(N-[4-[4-(6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl)hexan-2-yl]phenyl]anilino)phenyl]aniline;iridium;2-phenylpyridine is sourced from PubChem (CID 58793017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).