24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene

C74H85BN2O — CID 174124470

About 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene

24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene (PubChem CID 174124470) has the molecular formula C74H85BN2O and a molecular weight of 1029.32 g/mol. Its IUPAC name is 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene.

Molecular Properties

• Compound Name: 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene
• PubChem CID: 174124470
• Molecular Formula: C74H85BN2O
• Molecular Weight: 1029.32 g/mol
• Exact Mass: 1028.68
• IUPAC Name: 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene
• SMILES: Cc1cc(C)c(-c2cc3c4c(c2)N(CCCc2ccc(C(C)(C)C)cc2-c2ccccc2)c2c(oc5cc6c(cc25)C(C)(C)CCC6(C)C)B4N(c2ccc4c(c2)C(C)(C)CCC4(C)C)c2cc(C(C)(C)C)ccc2-3)c(C)c1
• InChI: InChI=1S/C74H85BN2O/c1-45-36-46(2)65(47(3)37-45)50-38-56-54-29-27-52(70(7,8)9)41-62(54)77(53-28-30-58-59(42-53)72(12,13)32-31-71(58,10)11)75-66(56)63(39-50)76(35-21-24-49-25-26-51(69(4,5)6)40-55(49)48-22-19-18-20-23-48)67-57-43-60-61(44-64(57)78-68(67)75)74(16,17)34-33-73(60,14)15/h18-20,22-23,25-30,36-44H,21,24,31-35H2,1-17H3
• InChIKey: AODWXPRUTDUEJQ-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.32
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene?

The IUPAC name of 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene (CID 174124470) is 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene.

What is the SMILES notation for 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene?

The canonical SMILES for 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene is Cc1cc(C)c(-c2cc3c4c(c2)N(CCCc2ccc(C(C)(C)C)cc2-c2ccccc2)c2c(oc5cc6c(cc25)C(C)(C)CCC6(C)C)B4N(c2ccc4c(c2)C(C)(C)CCC4(C)C)c2cc(C(C)(C)C)ccc2-3)c(C)c1.

What is the InChIKey of 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene?

The InChIKey is AODWXPRUTDUEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H85BN2O/c1-45-36-46(2)65(47(3)37-45)50-38-56-54-29-27-52(70(7,8)9)41-62(54)77(53-28-30-58-59(42-53)72(12,13)32-31-71(58,10)11)75-66(56)63(39-50)76(35-21-24-49-25-26-51(69(4,5)6)40-55(49)48-22-19-18-20-23-48)67-57-43-60-61(44-64(57)78-68(67)75)74(16,17)34-33-73(60,14)15/h18-20,22-23,25-30,36-44H,21,24,31-35H2,1-17H3.

What are the key properties of 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene?

24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene has a molecular weight of 1029.32 g/mol, XLogP of 18.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24-tert-butyl-15-[3-(4-tert-butyl-2-phenylphenyl)propyl]-7,7,10,10-tetramethyl-27-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-3-oxa-15,27-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.021,26]octacosa-2(14),4,6(11),12,16,18,20(28),21(26),22,24-decaene is sourced from PubChem (CID 174124470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).