4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene

C170H210 — CID 159907651

About 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene

4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene (PubChem CID 159907651) has the molecular formula C170H210 and a molecular weight of 2253.55 g/mol. Its IUPAC name is 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene.

Molecular Properties

• Compound Name: 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
• PubChem CID: 159907651
• Molecular Formula: C170H210
• Molecular Weight: 2253.55 g/mol
• Exact Mass: 2251.64
• IUPAC Name: 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c2cc(C(C)(C)C)c3c(C(C)(C)C)cc4cccc5c4c3c2c1-5.CC(C)(C)c1cc(C(C)(C)C)c2cc(C(C)(C)C)c3ccc4c(C(C)(C)C)ccc5c4c3c2c1-5.CC(C)(C)c1ccc2c3c1cc(C(C)(C)C)c1c(C(C)(C)C)cc4c(C(C)(C)C)ccc-2c4c13.CC(C)(C)c1ccc2cc(C(C)(C)C)c3c(C(C)(C)C)cc4ccc(C(C)(C)C)c5c4c3c2c1-5.CC(C)(C)c1ccc2ccc3c(C(C)(C)C)cc4c(C(C)(C)C)cc(C(C)(C)C)c5c4c3c2c1-5
• InChI: InChI=1S/5C34H42/c1-31(2,3)23-15-13-19-20-14-16-24(32(4,5)6)22-18-26(34(10,11)12)29-25(33(7,8)9)17-21(23)27(19)30(29)28(20)22;1-31(2,3)21-15-13-19-17-23(33(7,8)9)27-24(34(10,11)12)18-20-14-16-22(32(4,5)6)29-26(20)30(27)25(19)28(21)29;1-31(2,3)22-16-14-19-13-15-20-23(32(4,5)6)17-21-24(33(7,8)9)18-25(34(10,11)12)30-28(21)27(20)26(19)29(22)30;1-31(2,3)23-16-15-21-27-19(23)13-14-20-24(32(4,5)6)17-22-25(33(7,8)9)18-26(34(10,11)12)28(21)30(22)29(20)27;1-31(2,3)22-18-25(34(10,11)12)27-20-15-13-14-19-16-23(32(4,5)6)29-24(33(7,8)9)17-21(22)28(27)30(29)26(19)20/h5*13-18H,1-12H3
• InChIKey: NWTWUWPKHPCKBP-UHFFFAOYSA-N
• XLogP: 51.58
• TPSA: 0.00 Ų
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2253.55
LogP ≤ 5	51.58
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 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?

The IUPAC name of 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene (CID 159907651) is 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene.

What is the SMILES notation for 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?

The canonical SMILES for 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene is CC(C)(C)c1cc(C(C)(C)C)c2cc(C(C)(C)C)c3c(C(C)(C)C)cc4cccc5c4c3c2c1-5.CC(C)(C)c1cc(C(C)(C)C)c2cc(C(C)(C)C)c3ccc4c(C(C)(C)C)ccc5c4c3c2c1-5.CC(C)(C)c1ccc2c3c1cc(C(C)(C)C)c1c(C(C)(C)C)cc4c(C(C)(C)C)ccc-2c4c13.CC(C)(C)c1ccc2cc(C(C)(C)C)c3c(C(C)(C)C)cc4ccc(C(C)(C)C)c5c4c3c2c1-5.CC(C)(C)c1ccc2ccc3c(C(C)(C)C)cc4c(C(C)(C)C)cc(C(C)(C)C)c5c4c3c2c1-5.

What is the InChIKey of 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?

The InChIKey is NWTWUWPKHPCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C34H42/c1-31(2,3)23-15-13-19-20-14-16-24(32(4,5)6)22-18-26(34(10,11)12)29-25(33(7,8)9)17-21(23)27(19)30(29)28(20)22;1-31(2,3)21-15-13-19-17-23(33(7,8)9)27-24(34(10,11)12)18-20-14-16-22(32(4,5)6)29-26(20)30(27)25(19)28(21)29;1-31(2,3)22-16-14-19-13-15-20-23(32(4,5)6)17-21-24(33(7,8)9)18-25(34(10,11)12)30-28(21)27(20)26(19)29(22)30;1-31(2,3)23-16-15-21-27-19(23)13-14-20-24(32(4,5)6)17-22-25(33(7,8)9)18-26(34(10,11)12)28(21)30(22)29(20)27;1-31(2,3)22-18-25(34(10,11)12)27-20-15-13-14-19-16-23(32(4,5)6)29-24(33(7,8)9)17-21(22)28(27)30(29)26(19)20/h5*13-18H,1-12H3.

What are the key properties of 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene?

4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene has a molecular weight of 2253.55 g/mol, XLogP of 51.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6,9,11-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;4,6,9,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6,9,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;4,9,11,16-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1,3,5,7,9,11,13(18),14,16-nonaene;6,9,11,14-tetratert-butylpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene is sourced from PubChem (CID 159907651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).