9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole

C116H98N8OS+4 — CID 158086509

IUPAC9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
SMILESCc1ccc(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)o2)cc1-c1cccc[n+]1C.Cc1ccc(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)s2)cc1-c1cccc[n+]1C.Cc1ccc(/C=C/c2ccc3c4ccccc4n(C)c3c2)cc1-c1cccc[n+]1C.Cc1ccc(C#Cc2ccc3c4ccccc4n(C)c3c2)cc1-c1cccc[n+]1C
InChIInChI=1S/C30H25N2O.C30H25N2S.C28H25N2.C28H23N2/c2*1-20-11-12-21(18-25(20)26-9-6-7-17-31(26)2)29-15-16-30(33-29)22-13-14-24-23-8-4-5-10-27(23)32(3)28(24)19-22;2*1-20-11-12-21(18-25(20)26-9-6-7-17-29(26)2)13-14-22-15-16-24-23-8-4-5-10-27(23)30(3)28(24)19-22/h2*4-19H,1-3H3;4-19H,1-3H3;4-12,15-19H,1-3H3/q4*+1/b;;14-13+;
InChIKeyWBEQCHIVECNXKK-RRQMSZNVSA-N
MW1652.18 g/mol
LogP26.42
Rot. Bonds10

About 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole

9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole (PubChem CID 158086509) has the molecular formula C116H98N8OS+4 and a molecular weight of 1652.18 g/mol. Its IUPAC name is 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
PubChem CID158086509
Molecular FormulaC116H98N8OS+4
Molecular Weight1652.18 g/mol
Exact Mass1650.76
IUPAC Name9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole
SMILESCc1ccc(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)o2)cc1-c1cccc[n+]1C.Cc1ccc(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)s2)cc1-c1cccc[n+]1C.Cc1ccc(/C=C/c2ccc3c4ccccc4n(C)c3c2)cc1-c1cccc[n+]1C.Cc1ccc(C#Cc2ccc3c4ccccc4n(C)c3c2)cc1-c1cccc[n+]1C
InChIInChI=1S/C30H25N2O.C30H25N2S.C28H25N2.C28H23N2/c2*1-20-11-12-21(18-25(20)26-9-6-7-17-31(26)2)29-15-16-30(33-29)22-13-14-24-23-8-4-5-10-27(23)32(3)28(24)19-22;2*1-20-11-12-21(18-25(20)26-9-6-7-17-29(26)2)13-14-22-15-16-24-23-8-4-5-10-27(23)30(3)28(24)19-22/h2*4-19H,1-3H3;4-19H,1-3H3;4-12,15-19H,1-3H3/q4*+1/b;;14-13+;
InChIKeyWBEQCHIVECNXKK-RRQMSZNVSA-N
XLogP26.42
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001652.18
LogP ≤ 526.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole with MolForge

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Related Compounds

9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole
CID 123730074
9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole
CID 58435122
9-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole
CID 58435130
3-methyl-9-[4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]phenyl]-6-penta-1,3-diynylcarbazole;9-[4-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]naphthalen-1-yl]carbazole
CID 123515692
9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
CID 134392036
9-methyl-3-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-3-yl]carbazole
CID 58435192
2,3-bis[5-(9-methylcarbazol-2-yl)thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 132543255
1-methyl-2-[2-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]pyridin-1-ium
CID 166502950
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 177093517
9-methylcarbazole-2-carbaldehyde
CID 3152662
4,18-ditert-butyl-11-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 177263966
5,11-didodecyl-3-[(E)-2-(5-dodecyl-11-methylindolo[3,2-b]carbazol-3-yl)ethenyl]indolo[3,2-b]carbazole
CID 90046031

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole?
The IUPAC name of 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole (CID 158086509) is 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole is Cc1ccc(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)o2)cc1-c1cccc[n+]1C.Cc1ccc(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)s2)cc1-c1cccc[n+]1C.Cc1ccc(/C=C/c2ccc3c4ccccc4n(C)c3c2)cc1-c1cccc[n+]1C.Cc1ccc(C#Cc2ccc3c4ccccc4n(C)c3c2)cc1-c1cccc[n+]1C.
What is the InChIKey of 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole?
The InChIKey is WBEQCHIVECNXKK-RRQMSZNVSA-N. The full InChI is InChI=1S/C30H25N2O.C30H25N2S.C28H25N2.C28H23N2/c2*1-20-11-12-21(18-25(20)26-9-6-7-17-31(26)2)29-15-16-30(33-29)22-13-14-24-23-8-4-5-10-27(23)32(3)28(24)19-22;2*1-20-11-12-21(18-25(20)26-9-6-7-17-29(26)2)13-14-22-15-16-24-23-8-4-5-10-27(23)30(3)28(24)19-22/h2*4-19H,1-3H3;4-19H,1-3H3;4-12,15-19H,1-3H3/q4*+1/b;;14-13+;.
What are the key properties of 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole?
9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole has a molecular weight of 1652.18 g/mol, XLogP of 26.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(E)-2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethenyl]carbazole;9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]furan-2-yl]carbazole;9-methyl-2-[5-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]thiophen-2-yl]carbazole is sourced from PubChem (CID 158086509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).