5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

C62H48N2O2 — CID 172539505

About 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene

5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (PubChem CID 172539505) has the molecular formula C62H48N2O2 and a molecular weight of 853.08 g/mol. Its IUPAC name is 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
• PubChem CID: 172539505
• Molecular Formula: C62H48N2O2
• Molecular Weight: 853.08 g/mol
• Exact Mass: 852.37
• IUPAC Name: 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1c3oc4c(-c5ccccc5-c5ccccc5)cccc4n4c5ccc(C(C)(C)C)cc5c(c5oc6c(-c7ccccc7-c7ccccc7)cccc6n2c51)c34
• InChI: InChI=1S/C62H48N2O2/c1-61(2,3)39-31-33-49-47(35-39)53-55-60(66-57-45(27-17-29-51(57)63(49)55)43-25-15-13-23-41(43)37-19-9-7-10-20-37)54-48-36-40(62(4,5)6)32-34-50(48)64-52-30-18-28-46(58(52)65-59(53)56(54)64)44-26-16-14-24-42(44)38-21-11-8-12-22-38/h7-36H,1-6H3
• InChIKey: TVDBZFMHWJCDCK-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 35.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.08
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

The IUPAC name of 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene (CID 172539505) is 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene.

What is the SMILES notation for 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

The canonical SMILES for 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is CC(C)(C)c1ccc2c(c1)c1c3oc4c(-c5ccccc5-c5ccccc5)cccc4n4c5ccc(C(C)(C)C)cc5c(c5oc6c(-c7ccccc7-c7ccccc7)cccc6n2c51)c34.

What is the InChIKey of 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

The InChIKey is TVDBZFMHWJCDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2O2/c1-61(2,3)39-31-33-49-47(35-39)53-55-60(66-57-45(27-17-29-51(57)63(49)55)43-25-15-13-23-41(43)37-19-9-7-10-20-37)54-48-36-40(62(4,5)6)32-34-50(48)64-52-30-18-28-46(58(52)65-59(53)56(54)64)44-26-16-14-24-42(44)38-21-11-8-12-22-38/h7-36H,1-6H3.

What are the key properties of 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene?

5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene has a molecular weight of 853.08 g/mol, XLogP of 17.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,21-ditert-butyl-14,30-bis(2-phenylphenyl)-16,32-dioxa-9,25-diazanonacyclo[16.14.1.12,9.03,8.010,15.019,24.025,33.026,31.017,34]tetratriaconta-1(33),2(34),3(8),4,6,10,12,14,17,19(24),20,22,26,28,30-pentadecaene is sourced from PubChem (CID 172539505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).