3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole

C155H130F3N17O3S — CID 159290113

IUPAC3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
SMILESCc1cc(C#N)cc(C#N)c1.Cc1ccc(C(=O)C(F)(F)F)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2c(c1)c1cnccc1n2C.Cc1ccc2nc(C)ncc2c1.Cc1ccc2oc3ncc(C)cc3c2c1.Cc1cnc2oc3ncc(C)cc3c2c1.Cc1cnc2sc3ncc(C)cc3c2c1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C37H29N3.C25H20N2.C15H15N.C13H12N2.C13H11NO.C12H10N2O.C12H10N2S.C10H10N2.C9H7F3O.C9H6N2/c1-38-36-24-22-32(39(28-14-6-2-7-15-28)29-16-8-3-9-17-29)26-34(36)35-27-33(23-25-37(35)38)40(30-18-10-4-11-19-30)31-20-12-5-13-21-31;1-26-24-15-9-8-14-22(24)23-18-21(16-17-25(23)26)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15(12)2;1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;2*1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7;1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-6-2-4-7(5-3-6)8(13)9(10,11)12;1-7-2-8(5-10)4-9(3-7)6-11/h2-27H,1H3;2-18H,1H3;4-9H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyKZZVERFRCMDZLA-UHFFFAOYSA-N
MW2367.92 g/mol
LogP40.83
Rot. Bonds10

About 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole

3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole (PubChem CID 159290113) has the molecular formula C155H130F3N17O3S and a molecular weight of 2367.92 g/mol. Its IUPAC name is 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole.

Molecular Properties

Compound Name3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
PubChem CID159290113
Molecular FormulaC155H130F3N17O3S
Molecular Weight2367.92 g/mol
Exact Mass2366.02
IUPAC Name3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
SMILESCc1cc(C#N)cc(C#N)c1.Cc1ccc(C(=O)C(F)(F)F)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2c(c1)c1cnccc1n2C.Cc1ccc2nc(C)ncc2c1.Cc1ccc2oc3ncc(C)cc3c2c1.Cc1cnc2oc3ncc(C)cc3c2c1.Cc1cnc2sc3ncc(C)cc3c2c1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C37H29N3.C25H20N2.C15H15N.C13H12N2.C13H11NO.C12H10N2O.C12H10N2S.C10H10N2.C9H7F3O.C9H6N2/c1-38-36-24-22-32(39(28-14-6-2-7-15-28)29-16-8-3-9-17-29)26-34(36)35-27-33(23-25-37(35)38)40(30-18-10-4-11-19-30)31-20-12-5-13-21-31;1-26-24-15-9-8-14-22(24)23-18-21(16-17-25(23)26)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15(12)2;1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;2*1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7;1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-6-2-4-7(5-3-6)8(13)9(10,11)12;1-7-2-8(5-10)4-9(3-7)6-11/h2-27H,1H3;2-18H,1H3;4-9H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyKZZVERFRCMDZLA-UHFFFAOYSA-N
XLogP40.83
TPSA223.49 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002367.92
LogP ≤ 540.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?
The IUPAC name of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole (CID 159290113) is 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole.
What is the SMILES notation for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?
The canonical SMILES for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole is Cc1cc(C#N)cc(C#N)c1.Cc1ccc(C(=O)C(F)(F)F)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2c(c1)c1cnccc1n2C.Cc1ccc2nc(C)ncc2c1.Cc1ccc2oc3ncc(C)cc3c2c1.Cc1cnc2oc3ncc(C)cc3c2c1.Cc1cnc2sc3ncc(C)cc3c2c1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?
The InChIKey is KZZVERFRCMDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3.C25H20N2.C15H15N.C13H12N2.C13H11NO.C12H10N2O.C12H10N2S.C10H10N2.C9H7F3O.C9H6N2/c1-38-36-24-22-32(39(28-14-6-2-7-15-28)29-16-8-3-9-17-29)26-34(36)35-27-33(23-25-37(35)38)40(30-18-10-4-11-19-30)31-20-12-5-13-21-31;1-26-24-15-9-8-14-22(24)23-18-21(16-17-25(23)26)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-9-3-4-12-10(7-9)11-8-14-6-5-13(11)15(12)2;1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;2*1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7;1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-6-2-4-7(5-3-6)8(13)9(10,11)12;1-7-2-8(5-10)4-9(3-7)6-11/h2-27H,1H3;2-18H,1H3;4-9H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3.
What are the key properties of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?
3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole has a molecular weight of 2367.92 g/mol, XLogP of 40.83, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole is sourced from PubChem (CID 159290113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).