7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

C82H56 — CID 59090312

About 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene

7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (PubChem CID 59090312) has the molecular formula C82H56 and a molecular weight of 1041.35 g/mol. Its IUPAC name is 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.

Molecular Properties

• Compound Name: 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
• PubChem CID: 59090312
• Molecular Formula: C82H56
• Molecular Weight: 1041.35 g/mol
• Exact Mass: 1040.44
• IUPAC Name: 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
• SMILES: Cc1cc(C)c(-c2c3c(c(-c4ccccc4-c4ccccc4)c4ccccc24)=c2ccc4c5ccc6c7c(ccc(c8ccc=3c2c48)c75)=c2c(-c3c(C)cc(C)cc3C)c3ccccc3c(-c3ccccc3-c3ccccc3)c2=6)c(C)c1
• InChI: InChI=1S/C82H56/c1-45-41-47(3)69(48(4)42-45)77-59-31-19-17-29-57(59)73(55-27-15-13-25-53(55)51-21-9-7-10-22-51)79-65-37-33-61-62-34-38-66-76-68(40-36-64(72(62)76)63-35-39-67(81(77)79)75(65)71(61)63)82-78(70-49(5)43-46(2)44-50(70)6)60-32-20-18-30-58(60)74(80(66)82)56-28-16-14-26-54(56)52-23-11-8-12-24-52/h7-44H,1-6H3
• InChIKey: MMEFKTBCHFEIOO-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.35
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?

The IUPAC name of 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene (CID 59090312) is 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene.

What is the SMILES notation for 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?

The canonical SMILES for 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is Cc1cc(C)c(-c2c3c(c(-c4ccccc4-c4ccccc4)c4ccccc24)=c2ccc4c5ccc6c7c(ccc(c8ccc=3c2c48)c75)=c2c(-c3c(C)cc(C)cc3C)c3ccccc3c(-c3ccccc3-c3ccccc3)c2=6)c(C)c1.

What is the InChIKey of 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?

The InChIKey is MMEFKTBCHFEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56/c1-45-41-47(3)69(48(4)42-45)77-59-31-19-17-29-57(59)73(55-27-15-13-25-53(55)51-21-9-7-10-22-51)79-65-37-33-61-62-34-38-66-76-68(40-36-64(72(62)76)63-35-39-67(81(77)79)75(65)71(61)63)82-78(70-49(5)43-46(2)44-50(70)6)60-32-20-18-30-58(60)74(80(66)82)56-28-16-14-26-54(56)52-23-11-8-12-24-52/h7-44H,1-6H3.

What are the key properties of 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene?

7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene has a molecular weight of 1041.35 g/mol, XLogP of 21.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene is sourced from PubChem (CID 59090312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).