tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))

C114H65Au3F12N6O — CID 163958282

IUPACtris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[Au+3].[Au+3].[C-]#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.[C-]#Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.[C-]#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C23H18N.C20H12NO.C20H14N.3C17H7F4N.3Au/c1-4-17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)23(2,3)20-10-6-8-12-22(20)24;1-2-15-11-13-16(14-12-15)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21;1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;3*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;;;/h5-16H,2-3H3;3-14H;3-16H;3*1-5,8-9H;;;/q3*-1;3*-2;3*+3
InChIKeyYUJJMLJCFGVZOM-UHFFFAOYSA-N
MW2353.69 g/mol
LogP29.74
Rot. Bonds11

About tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))

tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)) (PubChem CID 163958282) has the molecular formula C114H65Au3F12N6O and a molecular weight of 2353.69 g/mol. Its IUPAC name is tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)).

Molecular Properties

Compound Nametris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))
PubChem CID163958282
Molecular FormulaC114H65Au3F12N6O
Molecular Weight2353.69 g/mol
Exact Mass2352.40
IUPAC Nametris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))
SMILESFc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[Au+3].[Au+3].[C-]#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.[C-]#Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.[C-]#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C23H18N.C20H12NO.C20H14N.3C17H7F4N.3Au/c1-4-17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)23(2,3)20-10-6-8-12-22(20)24;1-2-15-11-13-16(14-12-15)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21;1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;3*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;;;/h5-16H,2-3H3;3-14H;3-16H;3*1-5,8-9H;;;/q3*-1;3*-2;3*+3
InChIKeyYUJJMLJCFGVZOM-UHFFFAOYSA-N
XLogP29.74
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002353.69
LogP ≤ 529.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)) with MolForge

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Related Compounds

2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine;10-(4-ethynylphenyl)-9,9-dimethylacridine;gold(3+)
CID 164705072
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
CID 89457920
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
(Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine
CID 144898728
4-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N,N-diphenylaniline
CID 170656809
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
14,14-dimethyl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656265
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610

Frequently Asked Questions

What is the IUPAC name of tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))?
The IUPAC name of tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)) (CID 163958282) is tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)).
What is the SMILES notation for tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))?
The canonical SMILES for tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)) is Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.Fc1c[c-]c(-c2cccc(-c3[c-]cc(F)cc3F)n2)c(F)c1.[Au+3].[Au+3].[Au+3].[C-]#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1.[C-]#Cc1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.[C-]#Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))?
The InChIKey is YUJJMLJCFGVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N.C20H12NO.C20H14N.3C17H7F4N.3Au/c1-4-17-13-15-18(16-14-17)24-21-11-7-5-9-19(21)23(2,3)20-10-6-8-12-22(20)24;1-2-15-11-13-16(14-12-15)21-17-7-3-5-9-19(17)22-20-10-6-4-8-18(20)21;1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;3*18-10-4-6-12(14(20)8-10)16-2-1-3-17(22-16)13-7-5-11(19)9-15(13)21;;;/h5-16H,2-3H3;3-14H;3-16H;3*1-5,8-9H;;;/q3*-1;3*-2;3*+3.
What are the key properties of tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+))?
tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)) has a molecular weight of 2353.69 g/mol, XLogP of 29.74, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-bis(2,4-difluorobenzene-6-id-1-yl)pyridine);4-ethynyl-N,N-diphenylaniline;10-(4-ethynylphenyl)-9,9-dimethylacridine;10-(4-ethynylphenyl)phenoxazine;tris(gold(3+)) is sourced from PubChem (CID 163958282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).