3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

C₂₁₁H₁₈₆ — CID 159938576

About 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 159938576) has the molecular formula C₂₁₁H₁₈₆ and a molecular weight of 2721.81 g/mol. Its IUPAC name is 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

• Compound Name: 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
• PubChem CID: 159938576
• Molecular Formula: C₂₁₁H₁₈₆
• Molecular Weight: 2721.81 g/mol
• Exact Mass: 2719.46
• IUPAC Name: 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
• SMILES: CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2cccc4c5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c7cccc8cccc(c6c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c5cc3c24)c87)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2ccc3c4c(-c5ccccc5-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5-c5ccccc5)c4c4cccc2c43)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2ccc3c4c(-c5ccccc5-c5ccccc5)c5cc6c7ccccc7c7cccc(c5c(-c5ccccc5-c5ccccc5)c4c4cccc2c34)c76)c(C(C)C)c1
• InChI: InChI=1S/C73H78.2C69H54/c1-40(2)45-35-57(41(3)4)63(58(36-45)42(5)6)44-28-29-52-59(34-44)53-24-21-27-56-66(53)60(52)39-61-64(46-30-48(70(7,8)9)37-49(31-46)71(10,11)12)68-54-25-19-22-43-23-20-26-55(62(43)54)69(68)65(67(56)61)47-32-50(72(13,14)15)38-51(33-47)73(16,17)18;1-40(2)45-37-58(41(3)4)64(59(38-45)42(5)6)54-35-36-57-62-53(54)32-20-34-56(62)69-67(51-30-18-14-26-47(51)44-23-11-8-12-24-44)66-55-33-19-31-52-48-27-15-16-28-49(48)60(63(52)55)39-61(66)65(68(57)69)50-29-17-13-25-46(50)43-21-9-7-10-22-43;1-40(2)45-37-58(41(3)4)64(59(38-45)42(5)6)54-35-36-57-62-53(54)32-20-34-56(62)68-65(50-29-17-13-25-46(50)43-21-9-7-10-22-43)61-39-60-49-28-16-15-27-48(49)52-31-19-33-55(63(52)60)66(61)67(69(57)68)51-30-18-14-26-47(51)44-23-11-8-12-24-44/h19-42H,1-18H3;2*7-42H,1-6H3
• InChIKey: OAORVJBWUCPULN-UHFFFAOYSA-N
• XLogP: 62.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 22
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2721.81
LogP ≤ 5	62.88
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 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The IUPAC name of 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (CID 159938576) is 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

What is the SMILES notation for 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The canonical SMILES for 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is CC(C)c1cc(C(C)C)c(-c2ccc3c(c2)c2cccc4c5c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c7cccc8cccc(c6c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c5cc3c24)c87)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2ccc3c4c(-c5ccccc5-c5ccccc5)c5c(cc6c7ccccc7c7cccc5c76)c(-c5ccccc5-c5ccccc5)c4c4cccc2c43)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-c2ccc3c4c(-c5ccccc5-c5ccccc5)c5cc6c7ccccc7c7cccc(c5c(-c5ccccc5-c5ccccc5)c4c4cccc2c34)c76)c(C(C)C)c1.

What is the InChIKey of 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

The InChIKey is OAORVJBWUCPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H78.2C69H54/c1-40(2)45-35-57(41(3)4)63(58(36-45)42(5)6)44-28-29-52-59(34-44)53-24-21-27-56-66(53)60(52)39-61-64(46-30-48(70(7,8)9)37-49(31-46)71(10,11)12)68-54-25-19-22-43-23-20-26-55(62(43)54)69(68)65(67(56)61)47-32-50(72(13,14)15)38-51(33-47)73(16,17)18;1-40(2)45-37-58(41(3)4)64(59(38-45)42(5)6)54-35-36-57-62-53(54)32-20-34-56(62)69-67(51-30-18-14-26-47(51)44-23-11-8-12-24-44)66-55-33-19-31-52-48-27-15-16-28-49(48)60(63(52)55)39-61(66)65(68(57)69)50-29-17-13-25-46(50)43-21-9-7-10-22-43;1-40(2)45-37-58(41(3)4)64(59(38-45)42(5)6)54-35-36-57-62-53(54)32-20-34-56(62)68-65(50-29-17-13-25-46(50)43-21-9-7-10-22-43)61-39-60-49-28-16-15-27-48(49)52-31-19-33-55(63(52)60)66(61)67(69(57)68)51-30-18-14-26-47(51)44-23-11-8-12-24-44/h19-42H,1-18H3;2*7-42H,1-6H3.

What are the key properties of 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?

3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 2721.81 g/mol, XLogP of 62.88, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,15-bis(3,5-ditert-butylphenyl)-22-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-8-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,15-bis(2-phenylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 159938576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159938576 — identifiers, structure, computed properties (public domain)

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