10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate

C34H36BF4NO6 — CID 146013651

IUPAC10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
SMILESCOc1cc(OC)cc(-[n+]2c3cc(OC)cc(OC)c3c(-c3c(C)cc(C)cc3C)c3c(OC)cc(OC)cc32)c1.F[B-](F)(F)F
InChIInChI=1S/C34H36NO6.BF4/c1-19-10-20(2)31(21(3)11-19)34-32-27(15-25(38-6)17-29(32)40-8)35(22-12-23(36-4)14-24(13-22)37-5)28-16-26(39-7)18-30(41-9)33(28)34;2-1(3,4)5/h10-18H,1-9H3;/q+1;-1
InChIKeyDNLLZEBRIYLUOW-UHFFFAOYSA-N
MW641.47 g/mol
LogP8.21
Rot. Bonds8

About 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate

10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate (PubChem CID 146013651) has the molecular formula C34H36BF4NO6 and a molecular weight of 641.47 g/mol. Its IUPAC name is 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate.

Molecular Properties

Compound Name10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
PubChem CID146013651
Molecular FormulaC34H36BF4NO6
Molecular Weight641.47 g/mol
Exact Mass641.26
IUPAC Name10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate
SMILESCOc1cc(OC)cc(-[n+]2c3cc(OC)cc(OC)c3c(-c3c(C)cc(C)cc3C)c3c(OC)cc(OC)cc32)c1.F[B-](F)(F)F
InChIInChI=1S/C34H36NO6.BF4/c1-19-10-20(2)31(21(3)11-19)34-32-27(15-25(38-6)17-29(32)40-8)35(22-12-23(36-4)14-24(13-22)37-5)28-16-26(39-7)18-30(41-9)33(28)34;2-1(3,4)5/h10-18H,1-9H3;/q+1;-1
InChIKeyDNLLZEBRIYLUOW-UHFFFAOYSA-N
XLogP8.21
TPSA59.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.47
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The IUPAC name of 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate (CID 146013651) is 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate.
What is the SMILES notation for 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The canonical SMILES for 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate is COc1cc(OC)cc(-[n+]2c3cc(OC)cc(OC)c3c(-c3c(C)cc(C)cc3C)c3c(OC)cc(OC)cc32)c1.F[B-](F)(F)F.
What is the InChIKey of 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
The InChIKey is DNLLZEBRIYLUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36NO6.BF4/c1-19-10-20(2)31(21(3)11-19)34-32-27(15-25(38-6)17-29(32)40-8)35(22-12-23(36-4)14-24(13-22)37-5)28-16-26(39-7)18-30(41-9)33(28)34;2-1(3,4)5/h10-18H,1-9H3;/q+1;-1.
What are the key properties of 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate?
10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate has a molecular weight of 641.47 g/mol, XLogP of 8.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-dimethoxyphenyl)-1,3,6,8-tetramethoxy-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate is sourced from PubChem (CID 146013651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).