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

C60H50N4OS+2 — CID 123334351

IUPAC9-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
InChIInChI=1S/C30H25N2O.C30H25N2S/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/h2*4-19H,1-3H3/q2*+1
InChIKeyNHNRVTATADACMP-UHFFFAOYSA-N
MW875.15 g/mol
LogP14.59
Rot. Bonds6

About 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-[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 123334351) has the molecular formula C60H50N4OS+2 and a molecular weight of 875.15 g/mol. Its IUPAC name is 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-[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 CID123334351
Molecular FormulaC60H50N4OS+2
Molecular Weight875.15 g/mol
Exact Mass874.37
IUPAC Name9-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
InChIInChI=1S/C30H25N2O.C30H25N2S/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/h2*4-19H,1-3H3/q2*+1
InChIKeyNHNRVTATADACMP-UHFFFAOYSA-N
XLogP14.59
TPSA30.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.15
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
(1Z,3Z)-4-fluoro-1-[2-[9-(8-pyridin-3-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazol-3-yl]phenyl]buta-1,3-dien-1-amine
CID 147346092
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole
CID 163847508
1-(4-([2,2':6',2''-Terpyridin]-4'-yl)benzyl)-3-(2,5-dimethylthiophen-3-yl)-4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 138115779
1-(4-([2,2':6',2''-Terpyridin]-4'-yl)benzyl)-3-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)-4-(2,5-dimethylthiophen-3-yl)-1H-pyrrole-2,5-dione
CID 138115784
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
8-[8-(3-Carbazol-9-ylphenyl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544043

Frequently Asked Questions

What is the IUPAC name of 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-[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 123334351) is 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-[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-[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.
What is the InChIKey of 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 NHNRVTATADACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N2O.C30H25N2S/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/h2*4-19H,1-3H3/q2*+1.
What are the key properties of 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-[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 875.15 g/mol, XLogP of 14.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 123334351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).