dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)

C300H264F6N12O18P6S12 — CID 173249558

IUPACdodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESC[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C25H22NS.6FH2O3P/c12*1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21;6*1-5(2,3)4/h12*3-18H,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyIDEJFQXJQVZNHM-UHFFFAOYSA-B
MW5010.11 g/mol
LogP64.12
Rot. Bonds24

About dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)

dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) (PubChem CID 173249558) has the molecular formula C300H264F6N12O18P6S12 and a molecular weight of 5010.11 g/mol. Its IUPAC name is dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane).

Molecular Properties

Compound Namedodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
PubChem CID173249558
Molecular FormulaC300H264F6N12O18P6S12
Molecular Weight5010.11 g/mol
Exact Mass5005.51
IUPAC Namedodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
SMILESC[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C25H22NS.6FH2O3P/c12*1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21;6*1-5(2,3)4/h12*3-18H,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyIDEJFQXJQVZNHM-UHFFFAOYSA-B
XLogP64.12
TPSA415.26 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms354
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005010.11
LogP ≤ 564.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) with MolForge

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Related Compounds

dimethyl-[4-(2-phenyl-6-pyrimidin-2-ylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]azanium perchlorate
CID 20531380
[5-(2,6-diphenylthiopyran-4-ylidene)-2-pyridinylidene]-dimethylazanium
CID 20531391
[4-[2,6-bis(furan-2-yl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
CID 20531388
3-(2,6-diphenylthiopyran-4-ylidene)-5-phenyl-1H-pyrrol-2-one
CID 162715481
1,1'-biphenyl;neodymium(3+);phosphate
CID 87071793
4-benzhydrylidene-2,6-diphenylthiopyran
CID 13110816
4-diethoxyphosphoryl-2,6-diphenyl-4H-thiopyran
CID 12604720
4-[(2E,4E,6E,8E,10E)-12-(2,6-diphenylthiopyran-4-ylidene)-6,7-dimethoxydodeca-2,4,6,8,10-pentaenylidene]-2,6-diphenylthiopyran
CID 102318746
2,6-bis[4-(4-phenylphenyl)phenyl]-1,4-dithiine
CID 58816776
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
CID 173312038
(2E)-2-(6-phenylthiopyran-2-ylidene)propanal
CID 135053168
2-[1-(2,6-diphenylthiopyran-4-ylidene)ethyl]-3,4-dihydroxycyclobutan-1-one
CID 142364034

Frequently Asked Questions

What is the IUPAC name of dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The IUPAC name of dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) (CID 173249558) is dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane).
What is the SMILES notation for dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The canonical SMILES for dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) is C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.C[N+](C)=C1C=CC(=C2C=C(c3ccccc3)SC(c3ccccc3)=C2)C=C1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.
What is the InChIKey of dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
The InChIKey is IDEJFQXJQVZNHM-UHFFFAOYSA-B. The full InChI is InChI=1S/12C25H22NS.6FH2O3P/c12*1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21;6*1-5(2,3)4/h12*3-18H,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)?
dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) has a molecular weight of 5010.11 g/mol, XLogP of 64.12, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis([4-(2,6-diphenylthiopyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane) is sourced from PubChem (CID 173249558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).