3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene

C82H77N11OS2 — CID 158272384

IUPAC3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESCc1cc(-c2cc(C)ncn2)ncn1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1cccc(-c2ccc(-c3cccc(C)n3)cc2)n1.Cc1cncc(-c2cncc(C)n2)n1
InChIInChI=1S/C20H17N.C18H16N2.C14H14O.2C10H10N4.C10H10S2/c1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-13-5-3-7-17(19-13)15-9-11-16(12-10-15)18-8-4-6-14(2)20-18;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-11-5-9(13-7)10-6-12-4-8(2)14-10;1-7-3-9(13-5-11-7)10-4-8(2)12-6-14-10;1-7-3-5-9(11-7)10-6-4-8(2)12-10/h3-13H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3
InChIKeyGJEUCSCALNMDEH-UHFFFAOYSA-N
MW1296.73 g/mol
LogP21.12
Rot. Bonds8

About 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene

3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene (PubChem CID 158272384) has the molecular formula C82H77N11OS2 and a molecular weight of 1296.73 g/mol. Its IUPAC name is 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene
PubChem CID158272384
Molecular FormulaC82H77N11OS2
Molecular Weight1296.73 g/mol
Exact Mass1295.58
IUPAC Name3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene
SMILESCc1cc(-c2cc(C)ncn2)ncn1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1cccc(-c2ccc(-c3cccc(C)n3)cc2)n1.Cc1cncc(-c2cncc(C)n2)n1
InChIInChI=1S/C20H17N.C18H16N2.C14H14O.2C10H10N4.C10H10S2/c1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-13-5-3-7-17(19-13)15-9-11-16(12-10-15)18-8-4-6-14(2)20-18;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-11-5-9(13-7)10-6-12-4-8(2)14-10;1-7-3-9(13-5-11-7)10-4-8(2)12-6-14-10;1-7-3-5-9(11-7)10-6-4-8(2)12-10/h3-13H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3
InChIKeyGJEUCSCALNMDEH-UHFFFAOYSA-N
XLogP21.12
TPSA143.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.73
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene with MolForge

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Related Compounds

Methane;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 161510294
5,6-Bis[5-[2,2-bis(4-octoxyphenyl)ethenyl]thiophen-2-yl]-1-(4-methyl-2-pyridinyl)benzimidazole
CID 139262067
CID 59358444
CID 59358444
9-[4-(4-Dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2-methyl-3-(2-phenoxyphenyl)carbazole
CID 117828427
2-[(3E,5Z)-7-[1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]octa-3,5,7-trien-3-yl]oxy-6-(3-methyldibenzothiophen-4-yl)pyridine
CID 118081918
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 118446292
10-[2,6-Bis(1-dibenzothiophen-1-ylpyrrolo[2,3-b]pyridin-2-yl)-4-pyridinyl]phenoxazine
CID 137434111
10-[3-(3-Methylimidazol-3-ium-1-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
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4-[6-[(Z,1Z)-1-(3-methylidene-1-benzofuran-2-ylidene)but-2-enyl]-2-pyridinyl]-2,8-dipyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 142314160
12-dibenzothiophen-2-yl-3-[3-[15-[12-[(E,4E)-4-(3-methylidene-1-benzofuran-2-ylidene)but-2-en-2-yl]indolo[2,3-a]carbazol-11-yl]-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl]phenyl]-11-(8-phenyl-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)indolo[2,3-a]carbazole
CID 146360070
3-[9-(4-Dibenzothiophen-2-yloxypyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146374100
3-Dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-6-phenyl-9-(4-phenylpyrimidin-2-yl)carbazole
CID 157168634

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
The IUPAC name of 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene (CID 158272384) is 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
The canonical SMILES for 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene is Cc1cc(-c2cc(C)ncn2)ncn1.Cc1ccc(-c2ccc(C)s2)s1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccccc1.Cc1cccc(-c2ccc(-c3cccc(C)n3)cc2)n1.Cc1cncc(-c2cncc(C)n2)n1.
What is the InChIKey of 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
The InChIKey is GJEUCSCALNMDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N.C18H16N2.C14H14O.2C10H10N4.C10H10S2/c1-14-8-10-19-17(12-14)18-13-15(2)9-11-20(18)21(19)16-6-4-3-5-7-16;1-13-5-3-7-17(19-13)15-9-11-16(12-10-15)18-8-4-6-14(2)20-18;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-3-11-5-9(13-7)10-6-12-4-8(2)14-10;1-7-3-9(13-5-11-7)10-4-8(2)12-6-14-10;1-7-3-5-9(11-7)10-6-4-8(2)12-10/h3-13H,1-2H3;3-12H,1-2H3;3-10H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3.
What are the key properties of 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene?
3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene has a molecular weight of 1296.73 g/mol, XLogP of 21.12, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-phenylcarbazole;1-methyl-4-(4-methylphenoxy)benzene;2-methyl-6-(6-methylpyrazin-2-yl)pyrazine;2-methyl-6-[4-(6-methyl-2-pyridinyl)phenyl]pyridine;4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine;2-methyl-5-(5-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 158272384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).