5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

C88H112O4 — CID 15102923

About 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (PubChem CID 15102923) has the molecular formula C88H112O4 and a molecular weight of 1233.86 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• PubChem CID: 15102923
• Molecular Formula: C88H112O4
• Molecular Weight: 1233.86 g/mol
• Exact Mass: 1232.86
• IUPAC Name: 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• SMILES: CC(C)(C)c1ccc(COc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2OCc2ccc(C(C)(C)C)cc2)Cc2cc(C(C)(C)C)cc(c2OCc2ccc(C(C)(C)C)cc2)Cc2cc(C(C)(C)C)cc(c2OCc2ccc(C(C)(C)C)cc2)C3)cc1
• InChI: InChI=1S/C88H112O4/c1-81(2,3)69-33-25-57(26-34-69)53-89-77-61-41-63-47-74(86(16,17)18)49-65(78(63)90-54-58-27-35-70(36-28-58)82(4,5)6)43-67-51-76(88(22,23)24)52-68(80(67)92-56-60-31-39-72(40-32-60)84(10,11)12)44-66-50-75(87(19,20)21)48-64(42-62(77)46-73(45-61)85(13,14)15)79(66)91-55-59-29-37-71(38-30-59)83(7,8)9/h25-40,45-52H,41-44,53-56H2,1-24H3
• InChIKey: YANNANAYDFLFFW-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1233.86
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?

The IUPAC name of 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (CID 15102923) is 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.

What is the SMILES notation for 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?

The canonical SMILES for 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is CC(C)(C)c1ccc(COc2c3cc(C(C)(C)C)cc2Cc2cc(C(C)(C)C)cc(c2OCc2ccc(C(C)(C)C)cc2)Cc2cc(C(C)(C)C)cc(c2OCc2ccc(C(C)(C)C)cc2)Cc2cc(C(C)(C)C)cc(c2OCc2ccc(C(C)(C)C)cc2)C3)cc1.

What is the InChIKey of 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?

The InChIKey is YANNANAYDFLFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H112O4/c1-81(2,3)69-33-25-57(26-34-69)53-89-77-61-41-63-47-74(86(16,17)18)49-65(78(63)90-54-58-27-35-70(36-28-58)82(4,5)6)43-67-51-76(88(22,23)24)52-68(80(67)92-56-60-31-39-72(40-32-60)84(10,11)12)44-66-50-75(87(19,20)21)48-64(42-62(77)46-73(45-61)85(13,14)15)79(66)91-55-59-29-37-71(38-30-59)83(7,8)9/h25-40,45-52H,41-44,53-56H2,1-24H3.

What are the key properties of 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?

5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene has a molecular weight of 1233.86 g/mol, XLogP of 23.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-tert-butylphenyl)methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is sourced from PubChem (CID 15102923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).