10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C63H42O — CID 59136719

About 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 59136719) has the molecular formula C63H42O and a molecular weight of 815.03 g/mol. Its IUPAC name is 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 59136719
• Molecular Formula: C63H42O
• Molecular Weight: 815.03 g/mol
• Exact Mass: 814.32
• IUPAC Name: 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c4)cc3)cc2)cc1
• InChI: InChI=1S/C63H42O/c1-3-12-42(13-4-1)44-22-26-46(27-23-44)48-30-34-51(35-31-48)60(52-36-32-49(33-37-52)47-28-24-45(25-29-47)43-14-5-2-6-15-43)55-19-11-18-53(40-55)58-41-54-17-8-10-21-57(54)62-61-56-20-9-7-16-50(56)38-39-59(61)64-63(58)62/h1-41,60H
• InChIKey: OPYGQBCPTRLYNV-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 13.14 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.03
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 59136719) is 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c4)cc3)cc2)cc1.

What is the InChIKey of 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is OPYGQBCPTRLYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42O/c1-3-12-42(13-4-1)44-22-26-46(27-23-44)48-30-34-51(35-31-48)60(52-36-32-49(33-37-52)47-28-24-45(25-29-47)43-14-5-2-6-15-43)55-19-11-18-53(40-55)58-41-54-17-8-10-21-57(54)62-61-56-20-9-7-16-50(56)38-39-59(61)64-63(58)62/h1-41,60H.

What are the key properties of 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 815.03 g/mol, XLogP of 17.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 59136719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).