3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene

C68H60 — CID 171403913

About 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene

3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene (PubChem CID 171403913) has the molecular formula C68H60 and a molecular weight of 877.23 g/mol. Its IUPAC name is 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene.

Molecular Properties

• Compound Name: 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene
• PubChem CID: 171403913
• Molecular Formula: C68H60
• Molecular Weight: 877.23 g/mol
• Exact Mass: 876.47
• IUPAC Name: 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene
• SMILES: c1ccc(C(c2ccc3c(c2)C(c2ccccc2)c2ccccc2-3)c2cccc3c2C24c5c(cccc5C(c5ccccc5)c5ccccc5C56CC7CC(CC(C7)C5)C6)CC2CCC4C3)cc1
• InChI: InChI=1S/C68H60/c1-4-16-46(17-5-1)62(49-30-33-55-54-24-10-11-25-56(54)63(60(55)39-49)47-18-6-2-7-19-47)58-27-14-22-50-37-52-31-32-53-38-51-23-15-28-59(66(51)68(52,53)65(50)58)64(48-20-8-3-9-21-48)57-26-12-13-29-61(57)67-40-43-34-44(41-67)36-45(35-43)42-67/h1-30,33,39,43-45,52-53,62-64H,31-32,34-38,40-42H2
• InChIKey: YIFQDTXTFGHTCG-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.23
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene?

The IUPAC name of 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene (CID 171403913) is 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene.

What is the SMILES notation for 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene?

The canonical SMILES for 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene is c1ccc(C(c2ccc3c(c2)C(c2ccccc2)c2ccccc2-3)c2cccc3c2C24c5c(cccc5C(c5ccccc5)c5ccccc5C56CC7CC(CC(C7)C5)C6)CC2CCC4C3)cc1.

What is the InChIKey of 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene?

The InChIKey is YIFQDTXTFGHTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H60/c1-4-16-46(17-5-1)62(49-30-33-55-54-24-10-11-25-56(54)63(60(55)39-49)47-18-6-2-7-19-47)58-27-14-22-50-37-52-31-32-53-38-51-23-15-28-59(66(51)68(52,53)65(50)58)64(48-20-8-3-9-21-48)57-26-12-13-29-61(57)67-40-43-34-44(41-67)36-45(35-43)42-67/h1-30,33,39,43-45,52-53,62-64H,31-32,34-38,40-42H2.

What are the key properties of 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene?

3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene has a molecular weight of 877.23 g/mol, XLogP of 16.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(1-adamantyl)phenyl]-phenylmethyl]-18-[phenyl-(9-phenyl-9H-fluoren-2-yl)methyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene is sourced from PubChem (CID 171403913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).