10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene

C82H62 — CID 140785308

About 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene

10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene (PubChem CID 140785308) has the molecular formula C82H62 and a molecular weight of 1047.40 g/mol. Its IUPAC name is 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene.

Molecular Properties

• Compound Name: 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene
• PubChem CID: 140785308
• Molecular Formula: C82H62
• Molecular Weight: 1047.40 g/mol
• Exact Mass: 1046.49
• IUPAC Name: 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)-c1ccc3c4ccc5c6c(-c7ccccc7)c7cc8c(cc7c(-c7ccccc7)c6c6ccc(c7ccc-2c1c73)c4c65)c1cccc2c(-c3c(C(C)C)cccc3C(C)C)ccc8c21
• InChI: InChI=1S/C82H62/c1-43(2)50-22-15-23-51(44(3)4)72(50)49-28-29-54-57-30-32-59-61-36-38-65-80-66(39-37-62(79(61)80)60-33-35-64(67(54)40-49)77(57)78(59)60)82-74(48-20-13-10-14-21-48)71-42-69-63-34-31-58(75-52(45(5)6)24-16-25-53(75)46(7)8)55-26-17-27-56(76(55)63)68(69)41-70(71)73(81(65)82)47-18-11-9-12-19-47/h9-46H,1-8H3
• InChIKey: MCDNTTWKEHQYEH-UHFFFAOYSA-N
• XLogP: 24.34
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.40
LogP ≤ 5	24.34
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 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene?

The IUPAC name of 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene (CID 140785308) is 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene.

What is the SMILES notation for 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene?

The canonical SMILES for 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)-c1ccc3c4ccc5c6c(-c7ccccc7)c7cc8c(cc7c(-c7ccccc7)c6c6ccc(c7ccc-2c1c73)c4c65)c1cccc2c(-c3c(C(C)C)cccc3C(C)C)ccc8c21.

What is the InChIKey of 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene?

The InChIKey is MCDNTTWKEHQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62/c1-43(2)50-22-15-23-51(44(3)4)72(50)49-28-29-54-57-30-32-59-61-36-38-65-80-66(39-37-62(79(61)80)60-33-35-64(67(54)40-49)77(57)78(59)60)82-74(48-20-13-10-14-21-48)71-42-69-63-34-31-58(75-52(45(5)6)24-16-25-53(75)46(7)8)55-26-17-27-56(76(55)63)68(69)41-70(71)73(81(65)82)47-18-11-9-12-19-47/h9-46H,1-8H3.

What are the key properties of 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene?

10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene has a molecular weight of 1047.40 g/mol, XLogP of 24.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,32-bis[2,6-di(propan-2-yl)phenyl]-3,19-diphenyltridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(41),2,4(18),5,7(46),8,10,12,14,16,19,21(42),22,24(43),25,27,29(34),30,32,35,37,39,44-tricosaene is sourced from PubChem (CID 140785308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).