5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene

C70H74 — CID 44518442

About 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene

5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene (PubChem CID 44518442) has the molecular formula C70H74 and a molecular weight of 915.36 g/mol. Its IUPAC name is 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene.

Molecular Properties

• Compound Name: 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
• PubChem CID: 44518442
• Molecular Formula: C70H74
• Molecular Weight: 915.36 g/mol
• Exact Mass: 914.58
• IUPAC Name: 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
• SMILES: CC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)ccc3c3c4c5cc(C(C)(C)C)ccc5c5c(-c6ccc(C(C)(C)C)cc6)c6cc(C(C)(C)C)ccc6c(c6c7cc(C(C)(C)C)ccc7c2c36)c54)cc1
• InChI: InChI=1S/C70H74/c1-65(2,3)41-23-19-39(20-24-41)55-51-35-43(67(7,8)9)27-31-47(51)59-62-54-38-46(70(16,17)18)30-34-50(54)58-56(40-21-25-42(26-22-40)66(4,5)6)52-36-44(68(10,11)12)28-32-48(52)60(64(58)62)61-53-37-45(69(13,14)15)29-33-49(53)57(55)63(59)61/h19-38H,1-18H3
• InChIKey: OFBZVWVFURYAKG-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.36
LogP ≤ 5	20.91
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 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene?

The IUPAC name of 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene (CID 44518442) is 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene.

What is the SMILES notation for 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene?

The canonical SMILES for 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene is CC(C)(C)c1ccc(-c2c3cc(C(C)(C)C)ccc3c3c4c5cc(C(C)(C)C)ccc5c5c(-c6ccc(C(C)(C)C)cc6)c6cc(C(C)(C)C)ccc6c(c6c7cc(C(C)(C)C)ccc7c2c36)c54)cc1.

What is the InChIKey of 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene?

The InChIKey is OFBZVWVFURYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H74/c1-65(2,3)41-23-19-39(20-24-41)55-51-35-43(67(7,8)9)27-31-47(51)59-62-54-38-46(70(16,17)18)30-34-50(54)58-56(40-21-25-42(26-22-40)66(4,5)6)52-36-44(68(10,11)12)28-32-48(52)60(64(58)62)61-53-37-45(69(13,14)15)29-33-49(53)57(55)63(59)61/h19-38H,1-18H3.

What are the key properties of 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene?

5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene has a molecular weight of 915.36 g/mol, XLogP of 20.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene is sourced from PubChem (CID 44518442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).