3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium

C150H165N10+5 — CID 157383263

IUPAC3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium
SMILESCc1cccc(C)c1-c1c(C)n(C(C)C)[n+]2c3c(C(C)C)cccc3c3c(C)cccc3c12.Cc1cccc(C)c1-c1c(C)n(C(C)C)[n+]2c3c(C(C)C)cccc3c3ccccc3c12.Cc1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2ccccc2)c(C)n1C(C)C.[2H]C([2H])([2H])c1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2c(C)cccc2C)c(C)n1C(C)C.[2H]C([2H])([2H])c1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2ccccc2)c(C)n1C(C)C
InChIInChI=1S/2C31H35N2.C30H33N2.2C29H31N2/c2*1-18(2)24-15-11-17-25-28-22(7)14-10-16-26(28)31-29(27-20(5)12-9-13-21(27)6)23(8)32(19(3)4)33(31)30(24)25;1-18(2)23-16-11-17-25-24-14-8-9-15-26(24)30-28(27-20(5)12-10-13-21(27)6)22(7)31(19(3)4)32(30)29(23)25;2*1-18(2)23-15-11-17-24-26-20(5)12-10-16-25(26)29-27(22-13-8-7-9-14-22)21(6)30(19(3)4)31(29)28(23)24/h2*9-19H,1-8H3;8-19H,1-7H3;2*7-19H,1-6H3/q5*+1/i7D3;;;5D3;
InChIKeyQKKQSHBCSDVLGS-GQCICGLGSA-N
MW2114.08 g/mol
LogP39.15
Rot. Bonds17

About 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium

3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium (PubChem CID 157383263) has the molecular formula C150H165N10+5 and a molecular weight of 2114.08 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium
PubChem CID157383263
Molecular FormulaC150H165N10+5
Molecular Weight2114.08 g/mol
Exact Mass2112.36
IUPAC Name3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium
SMILESCc1cccc(C)c1-c1c(C)n(C(C)C)[n+]2c3c(C(C)C)cccc3c3c(C)cccc3c12.Cc1cccc(C)c1-c1c(C)n(C(C)C)[n+]2c3c(C(C)C)cccc3c3ccccc3c12.Cc1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2ccccc2)c(C)n1C(C)C.[2H]C([2H])([2H])c1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2c(C)cccc2C)c(C)n1C(C)C.[2H]C([2H])([2H])c1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2ccccc2)c(C)n1C(C)C
InChIInChI=1S/2C31H35N2.C30H33N2.2C29H31N2/c2*1-18(2)24-15-11-17-25-28-22(7)14-10-16-26(28)31-29(27-20(5)12-9-13-21(27)6)23(8)32(19(3)4)33(31)30(24)25;1-18(2)23-16-11-17-25-24-14-8-9-15-26(24)30-28(27-20(5)12-10-13-21(27)6)22(7)31(19(3)4)32(30)29(23)25;2*1-18(2)23-15-11-17-24-26-20(5)12-10-16-25(26)29-27(22-13-8-7-9-14-22)21(6)30(19(3)4)31(29)28(23)24/h2*9-19H,1-8H3;8-19H,1-7H3;2*7-19H,1-6H3/q5*+1/i7D3;;;5D3;
InChIKeyQKKQSHBCSDVLGS-GQCICGLGSA-N
XLogP39.15
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002114.08
LogP ≤ 539.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium with MolForge

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Related Compounds

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CID 140940483
2-methyl-3-phenyl-1,12-di(propan-2-yl)-8-(trideuteriomethyl)imidazo[1,2-f]phenanthridin-4-ium
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1,4-dimethyl-5-(trideuteriomethyl)naphthalene
CID 101091330
8-methyl-1-phenyl-2-propan-2-ylazulene
CID 141167204
3-(2,6-dimethylphenyl)-4-[2,6-di(propan-2-yl)phenyl]-5-phenyl-1,2,4-triazole
CID 90190715
3-(2,6-dimethylphenyl)-2,8-dimethyl-1,12-di(propan-2-yl)imidazo[1,2-f]phenanthridin-4-ium
CID 140940363
2-methyl-1-phenyltriphenylene
CID 175828145
1,2-diphenyl-3-propan-2-ylbenzene
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2-phenyl-3-propan-2-ylphenol
CID 54177325
10-[2,6-bis(trideuteriomethyl)phenyl]-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 176846455
1-methyl-2-(3-methyl-6-phenyldibenzofuran-4-yl)-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridin-1-ium
CID 171723861
4-[4-deuterio-2,6-di(propan-2-yl)phenyl]-1-methyl-2-(3-methyl-6-phenyldibenzofuran-4-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 171723887

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium?
The IUPAC name of 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium (CID 157383263) is 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium is Cc1cccc(C)c1-c1c(C)n(C(C)C)[n+]2c3c(C(C)C)cccc3c3c(C)cccc3c12.Cc1cccc(C)c1-c1c(C)n(C(C)C)[n+]2c3c(C(C)C)cccc3c3ccccc3c12.Cc1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2ccccc2)c(C)n1C(C)C.[2H]C([2H])([2H])c1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2c(C)cccc2C)c(C)n1C(C)C.[2H]C([2H])([2H])c1cccc2c1c1cccc(C(C)C)c1[n+]1c2c(-c2ccccc2)c(C)n1C(C)C.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium?
The InChIKey is QKKQSHBCSDVLGS-GQCICGLGSA-N. The full InChI is InChI=1S/2C31H35N2.C30H33N2.2C29H31N2/c2*1-18(2)24-15-11-17-25-28-22(7)14-10-16-26(28)31-29(27-20(5)12-9-13-21(27)6)23(8)32(19(3)4)33(31)30(24)25;1-18(2)23-16-11-17-25-24-14-8-9-15-26(24)30-28(27-20(5)12-10-13-21(27)6)22(7)31(19(3)4)32(30)29(23)25;2*1-18(2)23-15-11-17-24-26-20(5)12-10-16-25(26)29-27(22-13-8-7-9-14-22)21(6)30(19(3)4)31(29)28(23)24/h2*9-19H,1-8H3;8-19H,1-7H3;2*7-19H,1-6H3/q5*+1/i7D3;;;5D3;.
What are the key properties of 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium?
3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium has a molecular weight of 2114.08 g/mol, XLogP of 39.15, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2,7-dimethyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;2,7-dimethyl-3-phenyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)pyrazolo[1,5-f]phenanthridin-12-ium;3-(2,6-dimethylphenyl)-2-methyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium;2-methyl-3-phenyl-1,11-di(propan-2-yl)-7-(trideuteriomethyl)pyrazolo[1,5-f]phenanthridin-12-ium is sourced from PubChem (CID 157383263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).