24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene

C182H128 — CID 160900887

About 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene

24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene (PubChem CID 160900887) has the molecular formula C182H128 and a molecular weight of 2315.03 g/mol. Its IUPAC name is 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene.

Molecular Properties

• Compound Name: 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene
• PubChem CID: 160900887
• Molecular Formula: C182H128
• Molecular Weight: 2315.03 g/mol
• Exact Mass: 2313.00
• IUPAC Name: 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene
• SMILES: CC(C)(C)c1cc(-c2cc3ccc4ccc5c6c(cc(c2)c3c46)-c2c-5c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C)c1-c1cc2ccc3ccc4c5c(cc(c1)c2c35)-c1c-4c(-c2ccccc2)c2cc3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3cc2c1-c1ccccc1.c1ccc(-c2ccccc2-c2cc3ccc4ccc5c6c(cc(c2)c3c46)-c2c-5c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc1
• InChI: InChI=1S/C72H52.C56H44.C54H32/c1-43-32-59(72(3,4)5)33-44(2)64(43)57-35-52-29-26-49-30-31-60-69-63(42-58(39-57)65(52)68(49)69)71-67(48-24-16-9-17-25-48)61-40-51-28-27-50(34-56(51)41-62(61)66(70(60)71)47-22-14-8-15-23-47)55-37-53(45-18-10-6-11-19-45)36-54(38-55)46-20-12-7-13-21-46;1-55(2,3)42-27-40(28-43(32-42)56(4,5)6)39-25-38-22-21-35-23-24-44-52-47(31-41(26-39)48(38)51(35)52)54-50(34-17-11-8-12-18-34)46-30-37-20-14-13-19-36(37)29-45(46)49(53(44)54)33-15-9-7-10-16-33;1-4-14-33(15-5-1)42-22-12-13-23-43(42)40-28-39-25-24-36-26-27-44-52-47(32-41(29-40)48(39)51(36)52)54-50(35-18-8-3-9-19-35)46-31-38-21-11-10-20-37(38)30-45(46)49(53(44)54)34-16-6-2-7-17-34/h6-42H,1-5H3;7-32H,1-6H3;1-32H
• InChIKey: SPMGFVQDLYANLT-UHFFFAOYSA-N
• XLogP: 51.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2315.03
LogP ≤ 5	51.79
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 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene?

The IUPAC name of 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene (CID 160900887) is 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene.

What is the SMILES notation for 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene?

The canonical SMILES for 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene is CC(C)(C)c1cc(-c2cc3ccc4ccc5c6c(cc(c2)c3c46)-c2c-5c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cc(C)c1-c1cc2ccc3ccc4c5c(cc(c1)c2c35)-c1c-4c(-c2ccccc2)c2cc3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc3cc2c1-c1ccccc1.c1ccc(-c2ccccc2-c2cc3ccc4ccc5c6c(cc(c2)c3c46)-c2c-5c(-c3ccccc3)c3cc4ccccc4cc3c2-c2ccccc2)cc1.

What is the InChIKey of 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene?

The InChIKey is SPMGFVQDLYANLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52.C56H44.C54H32/c1-43-32-59(72(3,4)5)33-44(2)64(43)57-35-52-29-26-49-30-31-60-69-63(42-58(39-57)65(52)68(49)69)71-67(48-24-16-9-17-25-48)61-40-51-28-27-50(34-56(51)41-62(61)66(70(60)71)47-22-14-8-15-23-47)55-37-53(45-18-10-6-11-19-45)36-54(38-55)46-20-12-7-13-21-46;1-55(2,3)42-27-40(28-43(32-42)56(4,5)6)39-25-38-22-21-35-23-24-44-52-47(31-41(26-39)48(38)51(35)52)54-50(34-17-11-8-12-18-34)46-30-37-20-14-13-19-36(37)29-45(46)49(53(44)54)33-15-9-7-10-16-33;1-4-14-33(15-5-1)42-22-12-13-23-43(42)40-28-39-25-24-36-26-27-44-52-47(32-41(29-40)48(39)51(36)52)54-50(35-18-8-3-9-19-35)46-31-38-21-11-10-20-37(38)30-45(46)49(53(44)54)34-16-6-2-7-17-34/h6-42H,1-5H3;7-32H,1-6H3;1-32H.

What are the key properties of 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene?

24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene has a molecular weight of 2315.03 g/mol, XLogP of 51.79, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4-tert-butyl-2,6-dimethylphenyl)-9-(3,5-diphenylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4(13),5,7,9,11,14,16(29),17,19(28),20,22,24,26-pentadecaene;24-(3,5-ditert-butylphenyl)-3,14-diphenyloctacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene;3,14-diphenyl-24-(2-phenylphenyl)octacyclo[24.3.1.02,15.04,13.06,11.016,29.019,28.022,27]triaconta-1(30),2,4,6,8,10,12,14,16(29),17,19(28),20,22,24,26-pentadecaene is sourced from PubChem (CID 160900887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).