1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane

C194H205N3O5 — CID 158466026

IUPAC1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane
SMILESC.C.C.C.C.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2oc3cccc(-c4ccccc4)c3c12.CC(C)(C)c1cc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3cccc(-c4ccccc4)c3c2c1C(C)(C)C.CC(C)(C)c1ccc2oc3cccc(-c4ccccc4)c3c2c1C(C)(C)C.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)c1[2H]
InChIInChI=1S/C42H43NO.C36H40O.C34H27NO.C29H26O.C26H28O.C22H21N.5CH4/c1-40(2,3)27-18-20-32-30(24-27)31-25-28(41(4,5)6)19-21-33(31)43(32)34-22-23-36-38(39(34)42(7,8)9)37-29(16-13-17-35(37)44-36)26-14-11-10-12-15-26;1-34(2,3)25-20-24(21-26(22-25)35(4,5)6)28-18-19-30-32(33(28)36(7,8)9)31-27(16-13-17-29(31)37-30)23-14-11-10-12-15-23;1-34(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;1-19-10-8-13-21(18-19)23-16-17-25-27(28(23)29(2,3)4)26-22(14-9-15-24(26)30-25)20-11-6-5-7-12-20;1-25(2,3)19-15-16-21-23(24(19)26(4,5)6)22-18(13-10-14-20(22)27-21)17-11-8-7-9-12-17;1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23;;;;;/h10-25H,1-9H3;10-22H,1-9H3;4-21H,1-3H3;5-18H,1-4H3;7-16H,1-6H3;4-15H,1-3H3;5*1H4/i;;;8D,10D,13D,18D;;;;;;;
InChIKeyHFTJHWBPLVPEPF-KIDLZXDUSA-N
MW2662.81 g/mol
LogP58.34
Rot. Bonds10

About 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane

1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane (PubChem CID 158466026) has the molecular formula C194H205N3O5 and a molecular weight of 2662.81 g/mol. Its IUPAC name is 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane.

Molecular Properties

Compound Name1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane
PubChem CID158466026
Molecular FormulaC194H205N3O5
Molecular Weight2662.81 g/mol
Exact Mass2660.61
IUPAC Name1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane
SMILESC.C.C.C.C.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2oc3cccc(-c4ccccc4)c3c12.CC(C)(C)c1cc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3cccc(-c4ccccc4)c3c2c1C(C)(C)C.CC(C)(C)c1ccc2oc3cccc(-c4ccccc4)c3c2c1C(C)(C)C.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)c1[2H]
InChIInChI=1S/C42H43NO.C36H40O.C34H27NO.C29H26O.C26H28O.C22H21N.5CH4/c1-40(2,3)27-18-20-32-30(24-27)31-25-28(41(4,5)6)19-21-33(31)43(32)34-22-23-36-38(39(34)42(7,8)9)37-29(16-13-17-35(37)44-36)26-14-11-10-12-15-26;1-34(2,3)25-20-24(21-26(22-25)35(4,5)6)28-18-19-30-32(33(28)36(7,8)9)31-27(16-13-17-29(31)37-30)23-14-11-10-12-15-23;1-34(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;1-19-10-8-13-21(18-19)23-16-17-25-27(28(23)29(2,3)4)26-22(14-9-15-24(26)30-25)20-11-6-5-7-12-20;1-25(2,3)19-15-16-21-23(24(19)26(4,5)6)22-18(13-10-14-20(22)27-21)17-11-8-7-9-12-17;1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23;;;;;/h10-25H,1-9H3;10-22H,1-9H3;4-21H,1-3H3;5-18H,1-4H3;7-16H,1-6H3;4-15H,1-3H3;5*1H4/i;;;8D,10D,13D,18D;;;;;;;
InChIKeyHFTJHWBPLVPEPF-KIDLZXDUSA-N
XLogP58.34
TPSA80.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms202
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002662.81
LogP ≤ 558.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane with MolForge

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Related Compounds

1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;1-tert-butyl-2,9-diphenyldibenzofuran;1-tert-butyl-9-phenyldibenzofuran;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;1,2-ditert-butyl-9-phenyldibenzofuran
CID 165096728
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159330147
4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-9-(3,5-ditert-butylphenyl)-5-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylcarbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159479445
1-tert-butyl-2-carbazol-9-yl-9-phenylcarbazole;9-(2-tert-butyl-3-carbazol-9-ylphenyl)carbazole;9-(2-tert-butyl-3-phenylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)phenyl]carbazole
CID 165024093
1-tert-butyl-9-(3,5-ditert-butylphenyl)-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran
CID 159069559
2,7-ditert-butyl-9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2-tert-butylphenyl)carbazole;2,7-ditert-butyl-9-(2-tert-butyl-3-phenylphenyl)carbazole;2,7-ditert-butyl-9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]carbazole;2,7-ditert-butyl-9-(2,3-ditert-butylphenyl)carbazole
CID 167559301
4-tert-butyl-5,9-bis(3,5-ditert-butylphenyl)-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-3,5,9-tris(3,5-ditert-butylphenyl)carbazole;3,4-ditert-butyl-5,9-bis(3,5-ditert-butylphenyl)carbazole
CID 158942871
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607
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
4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159484807
6-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole;6-tert-butyl-7-(2,3,4,5,6-pentadeuteriophenyl)-5-(2,3,4,6-tetradeuterio-5-methylphenyl)indolo[2,3-b]carbazole;9-(2-tert-butyl-3-phenylphenyl)-1-(3,5-ditert-butylphenyl)carbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165061030

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane?
The IUPAC name of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane (CID 158466026) is 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane.
What is the SMILES notation for 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane?
The canonical SMILES for 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane is C.C.C.C.C.CC(C)(C)c1c(-n2c3ccccc3c3ccccc32)ccc2oc3cccc(-c4ccccc4)c3c12.CC(C)(C)c1cc(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2oc3cccc(-c4ccccc4)c3c2c1C(C)(C)C.CC(C)(C)c1ccc2oc3cccc(-c4ccccc4)c3c2c1C(C)(C)C.[2H]c1c([2H])c(C)c([2H])c(-c2ccc3oc4cccc(-c5ccccc5)c4c3c2C(C)(C)C)c1[2H].
What is the InChIKey of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane?
The InChIKey is HFTJHWBPLVPEPF-KIDLZXDUSA-N. The full InChI is InChI=1S/C42H43NO.C36H40O.C34H27NO.C29H26O.C26H28O.C22H21N.5CH4/c1-40(2,3)27-18-20-32-30(24-27)31-25-28(41(4,5)6)19-21-33(31)43(32)34-22-23-36-38(39(34)42(7,8)9)37-29(16-13-17-35(37)44-36)26-14-11-10-12-15-26;1-34(2,3)25-20-24(21-26(22-25)35(4,5)6)28-18-19-30-32(33(28)36(7,8)9)31-27(16-13-17-29(31)37-30)23-14-11-10-12-15-23;1-34(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;1-19-10-8-13-21(18-19)23-16-17-25-27(28(23)29(2,3)4)26-22(14-9-15-24(26)30-25)20-11-6-5-7-12-20;1-25(2,3)19-15-16-21-23(24(19)26(4,5)6)22-18(13-10-14-20(22)27-21)17-11-8-7-9-12-17;1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23;;;;;/h10-25H,1-9H3;10-22H,1-9H3;4-21H,1-3H3;5-18H,1-4H3;7-16H,1-6H3;4-15H,1-3H3;5*1H4/i;;;8D,10D,13D,18D;;;;;;;.
What are the key properties of 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane?
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane has a molecular weight of 2662.81 g/mol, XLogP of 58.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-phenyldibenzofuran;9-(4-tert-butylphenyl)carbazole;9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1-tert-butyl-9-phenyl-2-(2,3,4,6-tetradeuterio-5-methylphenyl)dibenzofuran;3,6-ditert-butyl-9-(1-tert-butyl-9-phenyldibenzofuran-2-yl)carbazole;1,2-ditert-butyl-9-phenyldibenzofuran;methane is sourced from PubChem (CID 158466026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).