3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene

C140H179NO2 — CID 161167997

About 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene

3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene (PubChem CID 161167997) has the molecular formula C140H179NO2 and a molecular weight of 1907.98 g/mol. Its IUPAC name is 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene.

Molecular Properties

• Compound Name: 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene
• PubChem CID: 161167997
• Molecular Formula: C140H179NO2
• Molecular Weight: 1907.98 g/mol
• Exact Mass: 1906.39
• IUPAC Name: 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC(C)C1c2ccccc2C2C(c3ccccc31)C2(C)C.CC(C)C1c2ccccc2C=Cc2ccccc21.CC(C)C1c2ccccc2CCCc2ccccc21.CC(C)C1c2ccccc2CCc2ccccc21.CC(C)C1c2ccccc2CNc2ccccc21.CC(C)C1c2ccccc2COc2ccccc21.CC(C)C1c2ccccc2Oc2ccccc21
• InChI: InChI=1S/C21H24.C19H22.C18H20.C18H18.C17H19N.C17H18O.C16H16O.7C2H6/c1-13(2)18-14-9-5-7-11-16(14)19-20(21(19,3)4)17-12-8-6-10-15(17)18;1-14(2)19-17-12-5-3-8-15(17)10-7-11-16-9-4-6-13-18(16)19;2*1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;2*1-12(2)17-14-8-4-3-7-13(14)11-18-16-10-6-5-9-15(16)17;1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;7*1-2/h5-13,18-20H,1-4H3;3-6,8-9,12-14,19H,7,10-11H2,1-2H3;3-10,13,18H,11-12H2,1-2H3;3-13,18H,1-2H3;3-10,12,17-18H,11H2,1-2H3;3-10,12,17H,11H2,1-2H3;3-11,16H,1-2H3;7*1-2H3
• InChIKey: UQUPYHGNLQPVLA-UHFFFAOYSA-N
• XLogP: 40.72
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1907.98
LogP ≤ 5	40.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene?

The IUPAC name of 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene (CID 161167997) is 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene.

What is the SMILES notation for 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene?

The canonical SMILES for 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene is CC.CC.CC.CC.CC.CC.CC.CC(C)C1c2ccccc2C2C(c3ccccc31)C2(C)C.CC(C)C1c2ccccc2C=Cc2ccccc21.CC(C)C1c2ccccc2CCCc2ccccc21.CC(C)C1c2ccccc2CCc2ccccc21.CC(C)C1c2ccccc2CNc2ccccc21.CC(C)C1c2ccccc2COc2ccccc21.CC(C)C1c2ccccc2Oc2ccccc21.

What is the InChIKey of 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene?

The InChIKey is UQUPYHGNLQPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24.C19H22.C18H20.C18H18.C17H19N.C17H18O.C16H16O.7C2H6/c1-13(2)18-14-9-5-7-11-16(14)19-20(21(19,3)4)17-12-8-6-10-15(17)18;1-14(2)19-17-12-5-3-8-15(17)10-7-11-16-9-4-6-13-18(16)19;2*1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18;2*1-12(2)17-14-8-4-3-7-13(14)11-18-16-10-6-5-9-15(16)17;1-11(2)16-12-7-3-5-9-14(12)17-15-10-6-4-8-13(15)16;7*1-2/h5-13,18-20H,1-4H3;3-6,8-9,12-14,19H,7,10-11H2,1-2H3;3-10,13,18H,11-12H2,1-2H3;3-13,18H,1-2H3;3-10,12,17-18H,11H2,1-2H3;3-10,12,17H,11H2,1-2H3;3-11,16H,1-2H3;7*1-2H3.

What are the key properties of 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene?

3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene has a molecular weight of 1907.98 g/mol, XLogP of 40.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-11-propan-2-yltetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene;ethane;11-propan-2-yl-6,11-dihydro-5H-benzo[c][1]benzazepine;11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine;2-propan-2-yltricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-propan-2-yl-9H-xanthene is sourced from PubChem (CID 161167997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).