3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium

C128H118N12+6 — CID 157324068

IUPAC3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium
SMILESCc1ccc2c(c1)c1cccc(C)c1n1c2cc[n+]1C.Cc1cccc(C)c1-c1c[n+](C)n2c3c(C)cccc3c3ccccc3c12.Cc1cccc2c3cc(-c4ccccc4)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3cc(C(C)C)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(C)c(C)n(C)[n+]3c12
InChIInChI=1S/C25H23N2.2C23H19N2.C20H21N2.C19H19N2.C18H17N2/c1-16-9-7-10-17(2)23(16)22-15-26(4)27-24-18(3)11-8-14-20(24)19-12-5-6-13-21(19)25(22)27;1-16-9-8-14-19-18-12-6-7-13-20(18)23-21(17-10-4-3-5-11-17)15-24(2)25(23)22(16)19;1-16-7-6-10-20-21-15-18(17-8-4-3-5-9-17)11-12-19(21)22-13-14-24(2)25(22)23(16)20;1-13(2)15-8-9-16-18(12-15)17-7-5-6-14(3)20(17)22-19(16)10-11-21(22)4;1-12-8-7-11-16-15-9-5-6-10-17(15)19-13(2)14(3)20(4)21(19)18(12)16;1-12-7-8-14-16(11-12)15-6-4-5-13(2)18(15)20-17(14)9-10-19(20)3/h5-15H,1-4H3;2*3-15H,1-2H3;5-13H,1-4H3;5-11H,1-4H3;4-11H,1-3H3/q6*+1
InChIKeyYUSZXDFLHUTUKY-UHFFFAOYSA-N
MW1824.44 g/mol
LogP27.94
Rot. Bonds4

About 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium

3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium (PubChem CID 157324068) has the molecular formula C128H118N12+6 and a molecular weight of 1824.44 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium
PubChem CID157324068
Molecular FormulaC128H118N12+6
Molecular Weight1824.44 g/mol
Exact Mass1822.96
IUPAC Name3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium
SMILESCc1ccc2c(c1)c1cccc(C)c1n1c2cc[n+]1C.Cc1cccc(C)c1-c1c[n+](C)n2c3c(C)cccc3c3ccccc3c12.Cc1cccc2c3cc(-c4ccccc4)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3cc(C(C)C)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(C)c(C)n(C)[n+]3c12
InChIInChI=1S/C25H23N2.2C23H19N2.C20H21N2.C19H19N2.C18H17N2/c1-16-9-7-10-17(2)23(16)22-15-26(4)27-24-18(3)11-8-14-20(24)19-12-5-6-13-21(19)25(22)27;1-16-9-8-14-19-18-12-6-7-13-20(18)23-21(17-10-4-3-5-11-17)15-24(2)25(23)22(16)19;1-16-7-6-10-20-21-15-18(17-8-4-3-5-9-17)11-12-19(21)22-13-14-24(2)25(22)23(16)20;1-13(2)15-8-9-16-18(12-15)17-7-5-6-14(3)20(17)22-19(16)10-11-21(22)4;1-12-8-7-11-16-15-9-5-6-10-17(15)19-13(2)14(3)20(4)21(19)18(12)16;1-12-7-8-14-16(11-12)15-6-4-5-13(2)18(15)20-17(14)9-10-19(20)3/h5-15H,1-4H3;2*3-15H,1-2H3;5-13H,1-4H3;5-11H,1-4H3;4-11H,1-3H3/q6*+1
InChIKeyYUSZXDFLHUTUKY-UHFFFAOYSA-N
XLogP27.94
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001824.44
LogP ≤ 527.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium with MolForge

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Related Compounds

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Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
[2-[2-Azanidyl-4,6-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)phenyl]azanide;benzene;bis(cobalt(3+));bis(phenyl-[6-[phenyl-di(pyrazol-1-yl)boranuidyl]-2-pyridinyl]-di(pyrazol-1-yl)boranuide)
CID 139144029
Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(2-phenylpyrazine)
CID 59010556
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012306
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(N-[4-(3-isoquinolin-3-ylphenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline)
CID 59012316
7-[3-[1-[[(1S,3R)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]-4-[(2S,4S)-4-fluoro-2-[[4-[2-[4-[(2S,4R)-4-fluoro-2-[[4-(6-methyl-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]cyclopentyl]quinolin-7-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]quinoline
CID 137388803
3-fluoro-4-[(2S,4S)-4-fluoro-2-[[4-[2-[4-[(2R,4S)-4-fluoro-2-[[4-(6-methyl-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]methyl]cyclopentyl]quinolin-7-yl]-6-methyl-3-pyridinyl]pyrazol-1-yl]methyl]cyclopentyl]-7-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137392128

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?
The IUPAC name of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium (CID 157324068) is 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium is Cc1ccc2c(c1)c1cccc(C)c1n1c2cc[n+]1C.Cc1cccc(C)c1-c1c[n+](C)n2c3c(C)cccc3c3ccccc3c12.Cc1cccc2c3cc(-c4ccccc4)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3cc(C(C)C)ccc3c3cc[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3c(C)c(C)n(C)[n+]3c12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?
The InChIKey is YUSZXDFLHUTUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2.2C23H19N2.C20H21N2.C19H19N2.C18H17N2/c1-16-9-7-10-17(2)23(16)22-15-26(4)27-24-18(3)11-8-14-20(24)19-12-5-6-13-21(19)25(22)27;1-16-9-8-14-19-18-12-6-7-13-20(18)23-21(17-10-4-3-5-11-17)15-24(2)25(23)22(16)19;1-16-7-6-10-20-21-15-18(17-8-4-3-5-9-17)11-12-19(21)22-13-14-24(2)25(22)23(16)20;1-13(2)15-8-9-16-18(12-15)17-7-5-6-14(3)20(17)22-19(16)10-11-21(22)4;1-12-8-7-11-16-15-9-5-6-10-17(15)19-13(2)14(3)20(4)21(19)18(12)16;1-12-7-8-14-16(11-12)15-6-4-5-13(2)18(15)20-17(14)9-10-19(20)3/h5-15H,1-4H3;2*3-15H,1-2H3;5-13H,1-4H3;5-11H,1-4H3;4-11H,1-3H3/q6*+1.
What are the key properties of 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium?
3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium has a molecular weight of 1824.44 g/mol, XLogP of 27.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-6-propan-2-ylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,3,11-tetramethylpyrazolo[2,3-f]phenanthridin-12-ium;1,6,11-trimethylpyrazolo[1,5-f]phenanthridin-1-ium is sourced from PubChem (CID 157324068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).