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

C106H93N10+5 — CID 158646546

IUPAC2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium
SMILESCc1cc(C)cc(-c2cc3c4ccccc4c4cccc(C)c4n3[n+]2C)c1.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(-c4ccccc4)[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12
InChIInChI=1S/C25H23N2.2C23H19N2.C18H17N2.C17H15N2/c1-16-12-17(2)14-19(13-16)23-15-24-21-10-6-5-9-20(21)22-11-7-8-18(3)25(22)27(24)26(23)4;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;1-16-9-8-14-20-18-12-6-7-13-19(18)22-15-21(17-10-4-3-5-11-17)24(2)25(22)23(16)20;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-13(2)19(3)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15/h5-15H,1-4H3;2*3-15H,1-2H3;4-11H,1-3H3;3-11H,1-2H3/q5*+1
InChIKeyPDJUEOQXWIOYQK-UHFFFAOYSA-N
MW1506.98 g/mol
LogP22.82
Rot. Bonds3

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

2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium (PubChem CID 158646546) has the molecular formula C106H93N10+5 and a molecular weight of 1506.98 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium
PubChem CID158646546
Molecular FormulaC106H93N10+5
Molecular Weight1506.98 g/mol
Exact Mass1505.76
IUPAC Name2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium
SMILESCc1cc(C)cc(-c2cc3c4ccccc4c4cccc(C)c4n3[n+]2C)c1.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(-c4ccccc4)[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12
InChIInChI=1S/C25H23N2.2C23H19N2.C18H17N2.C17H15N2/c1-16-12-17(2)14-19(13-16)23-15-24-21-10-6-5-9-20(21)22-11-7-8-18(3)25(22)27(24)26(23)4;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;1-16-9-8-14-20-18-12-6-7-13-19(18)22-15-21(17-10-4-3-5-11-17)24(2)25(22)23(16)20;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-13(2)19(3)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15/h5-15H,1-4H3;2*3-15H,1-2H3;4-11H,1-3H3;3-11H,1-2H3/q5*+1
InChIKeyPDJUEOQXWIOYQK-UHFFFAOYSA-N
XLogP22.82
TPSA42.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.98
LogP ≤ 522.82
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 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium with MolForge

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Related Compounds

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CID 16683885
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CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
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[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
9-[2,6-Bis[4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]pyridin-3-yl]-4-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-6-[2-[[3,5-dimethyl-4-[9-[3-[5-(trifluoromethyl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]-3-[4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]pyridin-3-yl]phenyl]pyridin-4-yl]carbazol-3-yl]phenyl]methyl]-3,5-dimethylphenyl]carbazole
CID 139313534

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium (CID 158646546) is 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium is Cc1cc(C)cc(-c2cc3c4ccccc4c4cccc(C)c4n3[n+]2C)c1.Cc1cccc2c3ccccc3c3c(-c4ccccc4)c[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(-c4ccccc4)[n+](C)n3c12.Cc1cccc2c3ccccc3c3cc(C)n(C)[n+]3c12.Cc1cccc2c3ccccc3c3cc[n+](C)n3c12.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium?
The InChIKey is PDJUEOQXWIOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2.2C23H19N2.C18H17N2.C17H15N2/c1-16-12-17(2)14-19(13-16)23-15-24-21-10-6-5-9-20(21)22-11-7-8-18(3)25(22)27(24)26(23)4;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;1-16-9-8-14-20-18-12-6-7-13-19(18)22-15-21(17-10-4-3-5-11-17)24(2)25(22)23(16)20;1-12-7-6-10-16-14-8-4-5-9-15(14)17-11-13(2)19(3)20(17)18(12)16;1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-18(2)19(16)17(12)15/h5-15H,1-4H3;2*3-15H,1-2H3;4-11H,1-3H3;3-11H,1-2H3/q5*+1.
What are the key properties of 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium?
2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium has a molecular weight of 1506.98 g/mol, XLogP of 22.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-2-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethyl-3-phenylpyrazolo[1,5-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;1,2,11-trimethylpyrazolo[2,3-f]phenanthridin-12-ium is sourced from PubChem (CID 158646546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).