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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole

C151H126F6N16O3S — CID 162188772

About 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole

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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole (PubChem CID 162188772) has the molecular formula C151H126F6N16O3S and a molecular weight of 2358.83 g/mol. Its IUPAC name is 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole.

Molecular Properties

• Compound Name: 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
• PubChem CID: 162188772
• Molecular Formula: C151H126F6N16O3S
• Molecular Weight: 2358.83 g/mol
• Exact Mass: 2356.98
• IUPAC Name: 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
• SMILES: 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.Cc1cccc(C(=O)C(F)(F)F)c1.Cc1cnc2oc3ncc(C)cc3c2c1.Cc1cnc2sc3ncc(C)cc3c2c1.Cn1c2ccc(N(c3ccccc3)c3ccccc3)cc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
• InChI: InChI=1S/C37H29N3.C25H20N2.C15H15N.C13H12N2.C12H10N2O.C12H10N2S.C10H10N2.2C9H7F3O.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;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;1-6-3-2-4-7(5-6)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;2*3-6H,1-2H3;3-6H,1-2H3;2*2-5H,1H3;2-4H,1H3
• InChIKey: ZQABHRULYVKXQC-UHFFFAOYSA-N
• XLogP: 39.97
• TPSA: 214.53 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2358.83
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?

The IUPAC name of 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole (CID 162188772) is 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole.

What is the SMILES notation for 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?

The canonical SMILES for 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-(3-methylphenyl)ethanone;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.Cc1cccc(C(=O)C(F)(F)F)c1.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 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?

The InChIKey is ZQABHRULYVKXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3.C25H20N2.C15H15N.C13H12N2.C12H10N2O.C12H10N2S.C10H10N2.2C9H7F3O.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;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;1-6-3-2-4-7(5-6)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;2*3-6H,1-2H3;3-6H,1-2H3;2*2-5H,1H3;2-4H,1H3.

What are the key properties of 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole?

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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole has a molecular weight of 2358.83 g/mol, XLogP of 39.97, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole is sourced from PubChem (CID 162188772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).