11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)

C90H84N2O2 — CID 159197057

About 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)

11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene) (PubChem CID 159197057) has the molecular formula C90H84N2O2 and a molecular weight of 1225.67 g/mol. Its IUPAC name is 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene).

Molecular Properties

• Compound Name: 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)
• PubChem CID: 159197057
• Molecular Formula: C90H84N2O2
• Molecular Weight: 1225.67 g/mol
• Exact Mass: 1224.65
• IUPAC Name: 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)
• SMILES: CC1Nc2ccccc2Cc2ccccc21.CC1c2ccccc2C=Cc2ccccc21.CC1c2ccccc2CCc2ccccc21.CC1c2ccccc2Oc2ccccc21.CC1c2ccccc2Oc2ccccc21.CN1c2ccccc2CCc2ccccc21
• InChI: InChI=1S/C16H16.C16H14.2C15H15N.2C14H12O/c2*1-12-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(12)14;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16-11;2*1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9,12H,10-11H2,1H3;2-12H,1H3;2-9H,10-11H2,1H3;2-9,11,16H,10H2,1H3;2*2-10H,1H3
• InChIKey: KOUHSQVUUAHWSO-UHFFFAOYSA-N
• XLogP: 23.46
• TPSA: 33.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.67
LogP ≤ 5	23.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)?

The IUPAC name of 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene) (CID 159197057) is 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene).

What is the SMILES notation for 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)?

The canonical SMILES for 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene) is CC1Nc2ccccc2Cc2ccccc21.CC1c2ccccc2C=Cc2ccccc21.CC1c2ccccc2CCc2ccccc21.CC1c2ccccc2Oc2ccccc21.CC1c2ccccc2Oc2ccccc21.CN1c2ccccc2CCc2ccccc21.

What is the InChIKey of 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)?

The InChIKey is KOUHSQVUUAHWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.C16H14.2C15H15N.2C14H12O/c2*1-12-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(12)14;1-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)16;1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16-11;2*1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9,12H,10-11H2,1H3;2-12H,1H3;2-9H,10-11H2,1H3;2-9,11,16H,10H2,1H3;2*2-10H,1H3.

What are the key properties of 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene)?

11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene) has a molecular weight of 1225.67 g/mol, XLogP of 23.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-5,6-dihydrobenzo[b][1]benzazepine;6-methyl-6,11-dihydro-5H-benzo[c][1]benzazepine;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;bis(9-methyl-9H-xanthene) is sourced from PubChem (CID 159197057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).