2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene

C162H160N8 — CID 167657984

About 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene

2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene (PubChem CID 167657984) has the molecular formula C162H160N8 and a molecular weight of 2223.14 g/mol. Its IUPAC name is 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene.

Molecular Properties

• Compound Name: 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene
• PubChem CID: 167657984
• Molecular Formula: C162H160N8
• Molecular Weight: 2223.14 g/mol
• Exact Mass: 2221.30
• IUPAC Name: 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene
• SMILES: Cc1c(C(C)C)cccc1C(C)C.Cc1c(CC(C)C)cccc1CC(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cccc(C)c1C.Cc1ccccc1.Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.Cn1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.Cn1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.[2H]c1c([2H])c([2H])c(C)c(C)c1[2H]
• InChI: InChI=1S/4C25H18N2.C15H24.C13H20.C10H14.C9H12.C8H10.C7H8/c1-26-21-13-7-6-12-20(21)24-23(26)16-15-19-18-11-5-8-14-22(18)27(25(19)24)17-9-3-2-4-10-17;1-26-21-13-7-5-11-18(21)19-15-16-23-24(25(19)26)20-12-6-8-14-22(20)27(23)17-9-3-2-4-10-17;1-26-22-13-7-5-11-18(22)20-15-16-21-19-12-6-8-14-23(19)27(25(21)24(20)26)17-9-3-2-4-10-17;1-26-20-13-7-5-11-18(20)24-22(26)15-16-23-25(24)19-12-6-8-14-21(19)27(23)17-9-3-2-4-10-17;1-11(2)9-14-7-6-8-15(13(14)5)10-12(3)4;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-5-8(2)10(4)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h4*2-16H,1H3;6-8,11-12H,9-10H2,1-5H3;6-10H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;2-6H,1H3/i;;;;;;;;3D,4D,5D,6D
• InChIKey: RNTRIDZWVNSERC-XSLCBWJSSA-N
• XLogP: 44.18
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2223.14
LogP ≤ 5	44.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene?

The IUPAC name of 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene (CID 167657984) is 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene.

What is the SMILES notation for 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene?

The canonical SMILES for 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene is Cc1c(C(C)C)cccc1C(C)C.Cc1c(CC(C)C)cccc1CC(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cccc(C)c1C.Cc1ccccc1.Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.Cn1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.Cn1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.[2H]c1c([2H])c([2H])c(C)c(C)c1[2H].

What is the InChIKey of 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene?

The InChIKey is RNTRIDZWVNSERC-XSLCBWJSSA-N. The full InChI is InChI=1S/4C25H18N2.C15H24.C13H20.C10H14.C9H12.C8H10.C7H8/c1-26-21-13-7-6-12-20(21)24-23(26)16-15-19-18-11-5-8-14-22(18)27(25(19)24)17-9-3-2-4-10-17;1-26-21-13-7-5-11-18(21)19-15-16-23-24(25(19)26)20-12-6-8-14-22(20)27(23)17-9-3-2-4-10-17;1-26-22-13-7-5-11-18(22)20-15-16-21-19-12-6-8-14-23(19)27(25(21)24(20)26)17-9-3-2-4-10-17;1-26-20-13-7-5-11-18(20)24-22(26)15-16-23-25(24)19-12-6-8-14-21(19)27(23)17-9-3-2-4-10-17;1-11(2)9-14-7-6-8-15(13(14)5)10-12(3)4;1-9(2)12-7-6-8-13(10(3)4)11(12)5;1-7-5-8(2)10(4)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7/h4*2-16H,1H3;6-8,11-12H,9-10H2,1-5H3;6-10H,1-5H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;2-6H,1H3/i;;;;;;;;3D,4D,5D,6D;.

What are the key properties of 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene?

2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene has a molecular weight of 2223.14 g/mol, XLogP of 44.18, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene is sourced from PubChem (CID 167657984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).