9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene

C82H82N2 — CID 143607827

About 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene

9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene (PubChem CID 143607827) has the molecular formula C82H82N2 and a molecular weight of 1095.57 g/mol. Its IUPAC name is 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene.

Molecular Properties

• Compound Name: 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene
• PubChem CID: 143607827
• Molecular Formula: C82H82N2
• Molecular Weight: 1095.57 g/mol
• Exact Mass: 1094.65
• IUPAC Name: 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene
• SMILES: CC1=CC(c2ccccc2)C(Nc2ccccc2)C=C1.CC1C=CC(N(c2ccccc2)c2ccccc2)=CC1.Cc1ccc2c(c1)C(C)(C)c1c-2ccc2c1C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1.Cc1ccccc1
• InChI: InChI=1S/C30H28.2C19H19N.2C7H8/c1-17-11-12-20-22-13-14-23-26-21-10-8-7-9-19(21)18(2)16-25(26)30(5,6)28(23)27(22)29(3,4)24(20)15-17;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-15-12-13-19(20-17-10-6-3-7-11-17)18(14-15)16-8-4-2-5-9-16;2*1-7-5-3-2-4-6-7/h7-16H,1-6H3;2-12,14-16H,13H2,1H3;2-14,18-20H,1H3;2*2-6H,1H3
• InChIKey: HQRXPRXMROZZHG-UHFFFAOYSA-N
• XLogP: 22.13
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.57
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene?

The IUPAC name of 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene (CID 143607827) is 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene.

What is the SMILES notation for 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene?

The canonical SMILES for 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene is CC1=CC(c2ccccc2)C(Nc2ccccc2)C=C1.CC1C=CC(N(c2ccccc2)c2ccccc2)=CC1.Cc1ccc2c(c1)C(C)(C)c1c-2ccc2c1C(C)(C)c1cc(C)c3ccccc3c1-2.Cc1ccccc1.Cc1ccccc1.

What is the InChIKey of 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene?

The InChIKey is HQRXPRXMROZZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28.2C19H19N.2C7H8/c1-17-11-12-20-22-13-14-23-26-21-10-8-7-9-19(21)18(2)16-25(26)30(5,6)28(23)27(22)29(3,4)24(20)15-17;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-15-12-13-19(20-17-10-6-3-7-11-17)18(14-15)16-8-4-2-5-9-16;2*1-7-5-3-2-4-6-7/h7-16H,1-6H3;2-12,14-16H,13H2,1H3;2-14,18-20H,1H3;2*2-6H,1H3.

What are the key properties of 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene?

9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene has a molecular weight of 1095.57 g/mol, XLogP of 22.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene is sourced from PubChem (CID 143607827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).