9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium

C49H42AuNP+ — CID 168830141

IUPAC9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium
SMILES[Au+].[C-]#Cc1ccc2c(c1)C(CC)(CC)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26N.C18H15P.Au/c1-4-23-17-19-27-28-20-18-26(22-30(28)31(5-2,6-3)29(27)21-23)32(24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h7-22H,5-6H2,2-3H3;1-15H;/q-1;;+1/p+1
InChIKeyALUOVXNOFFTGST-UHFFFAOYSA-O
MW872.82 g/mol
LogP11.36
Rot. Bonds8

About 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium

9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium (PubChem CID 168830141) has the molecular formula C49H42AuNP+ and a molecular weight of 872.82 g/mol. Its IUPAC name is 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium.

Molecular Properties

Compound Name9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium
PubChem CID168830141
Molecular FormulaC49H42AuNP+
Molecular Weight872.82 g/mol
Exact Mass872.27
IUPAC Name9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium
SMILES[Au+].[C-]#Cc1ccc2c(c1)C(CC)(CC)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H26N.C18H15P.Au/c1-4-23-17-19-27-28-20-18-26(22-30(28)31(5-2,6-3)29(27)21-23)32(24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h7-22H,5-6H2,2-3H3;1-15H;/q-1;;+1/p+1
InChIKeyALUOVXNOFFTGST-UHFFFAOYSA-O
XLogP11.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.82
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
3-[9-(2-cyanoethyl)-2,7-bis(N-(3-methylphenyl)anilino)fluoren-9-yl]propanenitrile
CID 14597878
N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)
CID 139258381
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
4-[4-[5-(4-cyano-N-(9,9-diethylfluoren-2-yl)anilino)naphthalen-1-yl]-N-(9,9-diethylfluoren-2-yl)anilino]benzonitrile
CID 70987184

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium?
The IUPAC name of 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium (CID 168830141) is 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium.
What is the SMILES notation for 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium?
The canonical SMILES for 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium is [Au+].[C-]#Cc1ccc2c(c1)C(CC)(CC)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium?
The InChIKey is ALUOVXNOFFTGST-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H26N.C18H15P.Au/c1-4-23-17-19-27-28-20-18-26(22-30(28)31(5-2,6-3)29(27)21-23)32(24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h7-22H,5-6H2,2-3H3;1-15H;/q-1;;+1/p+1.
What are the key properties of 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium?
9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium has a molecular weight of 872.82 g/mol, XLogP of 11.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-7-ethynyl-N,N-diphenylfluoren-2-amine;gold(1+);triphenylphosphanium is sourced from PubChem (CID 168830141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).