23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene

C64H36 — CID 123209791

About 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene

23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene (PubChem CID 123209791) has the molecular formula C64H36 and a molecular weight of 804.99 g/mol. Its IUPAC name is 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene.

Molecular Properties

• Compound Name: 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene
• PubChem CID: 123209791
• Molecular Formula: C64H36
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.28
• IUPAC Name: 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene
• SMILES: c1ccc(-c2cccc(-c3c4cc5c(cc4c(-c4ccccc4-c4ccccc4)c4c6ccc7ccc8cccc9cc(c34)c6c7c89)c3cc4ccccc4c4cccc5c43)c2)cc1
• InChI: InChI=1S/C64H36/c1-3-14-37(15-4-1)41-20-12-21-43(32-41)58-54-35-51-49-27-13-26-47-46-24-8-7-18-42(46)33-53(60(47)49)52(51)36-55(54)61(48-25-10-9-23-45(48)38-16-5-2-6-17-38)63-50-31-30-40-29-28-39-19-11-22-44-34-56(64(58)63)62(50)59(40)57(39)44/h1-36H
• InChIKey: CHPKXPQUXHVVEC-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.99
LogP ≤ 5	18.20
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 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene?

The IUPAC name of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene (CID 123209791) is 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene.

What is the SMILES notation for 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene?

The canonical SMILES for 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene is c1ccc(-c2cccc(-c3c4cc5c(cc4c(-c4ccccc4-c4ccccc4)c4c6ccc7ccc8cccc9cc(c34)c6c7c89)c3cc4ccccc4c4cccc5c43)c2)cc1.

What is the InChIKey of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene?

The InChIKey is CHPKXPQUXHVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36/c1-3-14-37(15-4-1)41-20-12-21-43(32-41)58-54-35-51-49-27-13-26-47-46-24-8-7-18-42(46)33-53(60(47)49)52(51)36-55(54)61(48-25-10-9-23-45(48)38-16-5-2-6-17-38)63-50-31-30-40-29-28-39-19-11-22-44-34-56(64(58)63)62(50)59(40)57(39)44/h1-36H.

What are the key properties of 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene?

23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene has a molecular weight of 804.99 g/mol, XLogP of 18.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(2-phenylphenyl)-5-(3-phenylphenyl)undecacyclo[25.11.1.17,11.02,26.04,24.06,22.08,21.09,18.010,15.029,34.035,39]tetraconta-1(38),2,4(24),5,7(40),8(21),9(18),10(15),11,13,16,19,22,25,27,29,31,33,35(39),36-icosaene is sourced from PubChem (CID 123209791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).