18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene

C62H67BN2O2 — CID 167372904

About 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene

18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene (PubChem CID 167372904) has the molecular formula C62H67BN2O2 and a molecular weight of 883.04 g/mol. Its IUPAC name is 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene.

Molecular Properties

• Compound Name: 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene
• PubChem CID: 167372904
• Molecular Formula: C62H67BN2O2
• Molecular Weight: 883.04 g/mol
• Exact Mass: 882.53
• IUPAC Name: 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene
• SMILES: CC(C)(C)c1ccc2c(c1)B1c3oc4cc5c(cc4c3N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc(C(C)(C)C)cc(c31)N2c1cccc2c1oc1ccccc12)C(C)(C)CCC5(C)C
• InChI: InChI=1S/C62H67BN2O2/c1-57(2,3)36-22-25-47-46(30-36)63-53-49(31-37(58(4,5)6)32-50(53)65(47)48-20-17-19-40-39-18-15-16-21-51(39)66-55(40)48)64(38-23-24-42-43(33-38)60(9,10)27-26-59(42,7)8)54-41-34-44-45(35-52(41)67-56(54)63)62(13,14)29-28-61(44,11)12/h15-25,30-35H,26-29H2,1-14H3
• InChIKey: SCEJADHLKPHKBF-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.04
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene?

The IUPAC name of 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene (CID 167372904) is 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene.

What is the SMILES notation for 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene?

The canonical SMILES for 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene is CC(C)(C)c1ccc2c(c1)B1c3oc4cc5c(cc4c3N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc(C(C)(C)C)cc(c31)N2c1cccc2c1oc1ccccc12)C(C)(C)CCC5(C)C.

What is the InChIKey of 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene?

The InChIKey is SCEJADHLKPHKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H67BN2O2/c1-57(2,3)36-22-25-47-46(30-36)63-53-49(31-37(58(4,5)6)32-50(53)65(47)48-20-17-19-40-39-18-15-16-21-51(39)66-55(40)48)64(38-23-24-42-43(33-38)60(9,10)27-26-59(42,7)8)54-41-34-44-45(35-52(41)67-56(54)63)62(13,14)29-28-61(44,11)12/h15-25,30-35H,26-29H2,1-14H3.

What are the key properties of 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene?

18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene has a molecular weight of 883.04 g/mol, XLogP of 15.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18,25-ditert-butyl-21-dibenzofuran-4-yl-7,7,10,10-tetramethyl-15-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,13.06,11.020,28.022,27]octacosa-2(14),4,6(11),12,16(28),17,19,22(27),23,25-decaene is sourced from PubChem (CID 167372904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).