5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene

C67H50 — CID 140736036

About 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene

5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene (PubChem CID 140736036) has the molecular formula C67H50 and a molecular weight of 855.14 g/mol. Its IUPAC name is 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene.

Molecular Properties

• Compound Name: 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
• PubChem CID: 140736036
• Molecular Formula: C67H50
• Molecular Weight: 855.14 g/mol
• Exact Mass: 854.39
• IUPAC Name: 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
• SMILES: Cc1c(C)c2cc3c(cc2c2cc4c(cc12)-c1c(cc(-c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cccc4c2Cc2c(-c5ccccc5)cccc2-4)c2ccccc2c1-3
• InChI: InChI=1S/C67H50/c1-38-39(2)51-32-59-61(36-57(51)56-35-60-58(31-50(38)56)64-48-25-15-13-23-45(48)52(34-62(64)66(60,3)4)41-21-11-8-12-22-41)67(5,6)63-37-55(46-24-14-16-26-49(46)65(59)63)47-30-18-29-44-43-28-17-27-42(53(43)33-54(44)47)40-19-9-7-10-20-40/h7-32,34-37H,33H2,1-6H3
• InChIKey: KJKLLVDKBIURPB-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.14
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?

The IUPAC name of 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene (CID 140736036) is 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene.

What is the SMILES notation for 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?

The canonical SMILES for 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene is Cc1c(C)c2cc3c(cc2c2cc4c(cc12)-c1c(cc(-c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cccc4c2Cc2c(-c5ccccc5)cccc2-4)c2ccccc2c1-3.

What is the InChIKey of 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?

The InChIKey is KJKLLVDKBIURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50/c1-38-39(2)51-32-59-61(36-57(51)56-35-60-58(31-50(38)56)64-48-25-15-13-23-45(48)52(34-62(64)66(60,3)4)41-21-11-8-12-22-41)67(5,6)63-37-55(46-24-14-16-26-49(46)65(59)63)47-30-18-29-44-43-28-17-27-42(53(43)33-54(44)47)40-19-9-7-10-20-40/h7-32,34-37H,33H2,1-6H3.

What are the key properties of 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?

5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene has a molecular weight of 855.14 g/mol, XLogP of 18.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene is sourced from PubChem (CID 140736036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).