1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran

C169H141B2NO8 — CID 165069755

About 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran

1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran (PubChem CID 165069755) has the molecular formula C169H141B2NO8 and a molecular weight of 2339.63 g/mol. Its IUPAC name is 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran.

Molecular Properties

• Compound Name: 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran
• PubChem CID: 165069755
• Molecular Formula: C169H141B2NO8
• Molecular Weight: 2339.63 g/mol
• Exact Mass: 2338.11
• IUPAC Name: 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran
• SMILES: CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2oc3cccc(-c4ccccc4)c3c12.CC(C)(C)c1ccccc1-c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.CC(C)(C)c1ccccc1-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.CC(C)(C)c1ccccc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3oc4ccccc4c3c2C(C)(C)C)c1[2H]
• InChI: InChI=1S/C34H27NO.C34H28.C28H21BO3.C28H23BO2.C23H22O.C22H20O/c1-34(2,3)33-28(35-26-17-9-7-14-24(26)25-15-8-10-18-27(25)35)20-21-30-32(33)31-23(16-11-19-29(31)36-30)22-12-5-4-6-13-22;1-34(2,3)33-19-11-10-12-24(33)23-20-21-31-29-17-7-6-15-27(29)25-13-4-5-14-26(25)28-16-8-9-18-30(28)32(31)22-23;1-28(2,3)18-9-5-4-8-17(18)16-14-23-27-24(15-16)32-22-13-7-11-20-26(22)29(27)25-19(30-20)10-6-12-21(25)31-23;1-28(2,3)20-11-5-4-10-19(20)18-16-25-27-26(17-18)31-24-15-9-7-13-22(24)29(27)21-12-6-8-14-23(21)30-25;1-15-8-7-9-16(14-15)17-12-13-20-21(22(17)23(2,3)4)18-10-5-6-11-19(18)24-20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h4-21H,1-3H3;4-22H,1-3H3;4-15H,1-3H3;4-17H,1-3H3;5-14H,1-4H3;4-14H,1-3H3/b;27-25-,28-26-,31-29-,32-30-;;;;/i;;;;7D,8D,9D,14D
• InChIKey: SOIQCQKQMROQHZ-PPGMQISLSA-N
• XLogP: 43.55
• TPSA: 90.50 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2339.63
LogP ≤ 5	43.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran?

The IUPAC name of 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran (CID 165069755) is 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran.

What is the SMILES notation for 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran?

The canonical SMILES for 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran is CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2oc3cccc(-c4ccccc4)c3c12.CC(C)(C)c1ccccc1-c1cc2c3c(c1)Oc1cccc4c1B3c1c(cccc1O2)O4.CC(C)(C)c1ccccc1-c1cc2c3c(c1)Oc1ccccc1B3c1ccccc1O2.CC(C)(C)c1ccccc1-c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3oc4ccccc4c3c2C(C)(C)C)c1[2H].

What is the InChIKey of 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran?

The InChIKey is SOIQCQKQMROQHZ-PPGMQISLSA-N. The full InChI is InChI=1S/C34H27NO.C34H28.C28H21BO3.C28H23BO2.C23H22O.C22H20O/c1-34(2,3)33-28(35-26-17-9-7-14-24(26)25-15-8-10-18-27(25)35)20-21-30-32(33)31-23(16-11-19-29(31)36-30)22-12-5-4-6-13-22;1-34(2,3)33-19-11-10-12-24(33)23-20-21-31-29-17-7-6-15-27(29)25-13-4-5-14-26(25)28-16-8-9-18-30(28)32(31)22-23;1-28(2,3)18-9-5-4-8-17(18)16-14-23-27-24(15-16)32-22-13-7-11-20-26(22)29(27)25-19(30-20)10-6-12-21(25)31-23;1-28(2,3)20-11-5-4-10-19(20)18-16-25-27-26(17-18)31-24-15-9-7-13-22(24)29(27)21-12-6-8-14-23(21)30-25;1-15-8-7-9-16(14-15)17-12-13-20-21(22(17)23(2,3)4)18-10-5-6-11-19(18)24-20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h4-21H,1-3H3;4-22H,1-3H3;4-15H,1-3H3;4-17H,1-3H3;5-14H,1-4H3;4-14H,1-3H3/b;27-25-,28-26-,31-29-,32-30-;;;;/i;;;;7D,8D,9D,14D;.

What are the key properties of 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran?

1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran has a molecular weight of 2339.63 g/mol, XLogP of 43.55, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;11-(2-tert-butylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;2-(2-tert-butylphenyl)tetraphenylene;5-(2-tert-butylphenyl)-8,14,22-trioxa-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;1-tert-butyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran is sourced from PubChem (CID 165069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).