10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)

C44H29AuN2O2 — CID 166050797

IUPAC10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)
SMILESCC1(C)c2ccccc2-c2c(Oc3[c-]ccc(N4c5ccccc5Oc5ccccc54)c3)[c-]c(-c3cccc(-c4[c-]cccc4)n3)cc21.[Au+3]
InChIInChI=1S/C44H29N2O2.Au/c1-44(2)34-19-7-6-18-33(34)43-35(44)26-30(37-21-13-20-36(45-37)29-14-4-3-5-15-29)27-42(43)47-32-17-12-16-31(28-32)46-38-22-8-10-24-40(38)48-41-25-11-9-23-39(41)46;/h3-14,16,18-26,28H,1-2H3;/q-3;+3
InChIKeyWRPGMHBBLBXCRF-UHFFFAOYSA-N
MW814.70 g/mol
LogP11.49
Rot. Bonds5

About 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)

10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+) (PubChem CID 166050797) has the molecular formula C44H29AuN2O2 and a molecular weight of 814.70 g/mol. Its IUPAC name is 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+).

Molecular Properties

Compound Name10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)
PubChem CID166050797
Molecular FormulaC44H29AuN2O2
Molecular Weight814.70 g/mol
Exact Mass814.19
IUPAC Name10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)
SMILESCC1(C)c2ccccc2-c2c(Oc3[c-]ccc(N4c5ccccc5Oc5ccccc54)c3)[c-]c(-c3cccc(-c4[c-]cccc4)n3)cc21.[Au+3]
InChIInChI=1S/C44H29N2O2.Au/c1-44(2)34-19-7-6-18-33(34)43-35(44)26-30(37-21-13-20-36(45-37)29-14-4-3-5-15-29)27-42(43)47-32-17-12-16-31(28-32)46-38-22-8-10-24-40(38)48-41-25-11-9-23-39(41)46;/h3-14,16,18-26,28H,1-2H3;/q-3;+3
InChIKeyWRPGMHBBLBXCRF-UHFFFAOYSA-N
XLogP11.49
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.70
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822
3-[3,5-bis(3-phenoxazin-10-ylphenoxazin-10-yl)phenyl]-10,10-dimethylanthracen-9-one
CID 142288177
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[7-[10-(4-tert-butylphenyl)phenazin-5-yl]-9,9-dimethylfluoren-2-yl]phenoxazine
CID 168782831
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
2-[2,7-dimethyl-9-(6-phenyl-2-pyridinyl)xanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824186
(Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine
CID 144898728
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
CID 146495452
CID 146495452
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

Frequently Asked Questions

What is the IUPAC name of 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)?
The IUPAC name of 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+) (CID 166050797) is 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+).
What is the SMILES notation for 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)?
The canonical SMILES for 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+) is CC1(C)c2ccccc2-c2c(Oc3[c-]ccc(N4c5ccccc5Oc5ccccc54)c3)[c-]c(-c3cccc(-c4[c-]cccc4)n3)cc21.[Au+3].
What is the InChIKey of 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)?
The InChIKey is WRPGMHBBLBXCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N2O2.Au/c1-44(2)34-19-7-6-18-33(34)43-35(44)26-30(37-21-13-20-36(45-37)29-14-4-3-5-15-29)27-42(43)47-32-17-12-16-31(28-32)46-38-22-8-10-24-40(38)48-41-25-11-9-23-39(41)46;/h3-14,16,18-26,28H,1-2H3;/q-3;+3.
What are the key properties of 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+)?
10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+) has a molecular weight of 814.70 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[[9,9-dimethyl-2-(6-phenyl-2-pyridinyl)-3H-fluoren-3-id-4-yl]oxy]benzene-4-id-1-yl]phenoxazine;gold(3+) is sourced from PubChem (CID 166050797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).