8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

C69H56 — CID 144669671

About 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene

8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (PubChem CID 144669671) has the molecular formula C69H56 and a molecular weight of 885.21 g/mol. Its IUPAC name is 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

Molecular Properties

• Compound Name: 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
• PubChem CID: 144669671
• Molecular Formula: C69H56
• Molecular Weight: 885.21 g/mol
• Exact Mass: 884.44
• IUPAC Name: 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(CC(c2ccccc2)c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(C=C(c2ccccc2)c2ccccc2)c2ccccc2c1-3
• InChI: InChI=1S/C69H56/c1-67(2)59-41-57-61(68(3,4)63-37-47(49-31-19-21-33-51(49)65(57)63)35-53(43-23-11-7-12-24-43)44-25-13-8-14-26-44)39-55(59)56-40-62-58(42-60(56)67)66-52-34-22-20-32-50(52)48(38-64(66)69(62,5)6)36-54(45-27-15-9-16-28-45)46-29-17-10-18-30-46/h7-35,37-42,54H,36H2,1-6H3
• InChIKey: YXHDKKKAOSXGNB-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.21
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The IUPAC name of 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene (CID 144669671) is 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene.

What is the SMILES notation for 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The canonical SMILES for 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(CC(c2ccccc2)c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(C=C(c2ccccc2)c2ccccc2)c2ccccc2c1-3.

What is the InChIKey of 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

The InChIKey is YXHDKKKAOSXGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56/c1-67(2)59-41-57-61(68(3,4)63-37-47(49-31-19-21-33-51(49)65(57)63)35-53(43-23-11-7-12-24-43)44-25-13-8-14-26-44)39-55(59)56-40-62-58(42-60(56)67)66-52-34-22-20-32-50(52)48(38-64(66)69(62,5)6)36-54(45-27-15-9-16-28-45)46-29-17-10-18-30-46/h7-35,37-42,54H,36H2,1-6H3.

What are the key properties of 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene?

8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene has a molecular weight of 885.21 g/mol, XLogP of 17.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-diphenylethenyl)-30-(2,2-diphenylethyl)-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene is sourced from PubChem (CID 144669671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).