1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]

C316H306N2O4S4 — CID 164990241

IUPAC1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12.CC(C)(C)c1cccc2sc3ccccc3c12.Cn1c2ccccc2c2ccc(C(C)(C)C)cc21.Cn1c2ccccc2c2cccc(C(C)(C)C)c21
InChIInChI=1S/4C29H24.2C19H22.2C17H19N.4C16H16O.4C16H16S/c1-28(2,3)26-18-10-14-22-21-13-6-9-17-25(21)29(27(22)26)23-15-7-4-11-19(23)20-12-5-8-16-24(20)29;1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-17(2,3)14-10-7-9-13-12-8-5-6-11-15(12)18(4)16(13)14;1-17(2,3)12-9-10-14-13-7-5-6-8-15(13)18(4)16(14)11-12;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h4*4-18H,1-3H3;2*6-12H,1-5H3;2*5-11H,1-4H3;8*4-10H,1-3H3
InChIKeyGTCRWPFFKOSDGD-UHFFFAOYSA-N
MW4324.20 g/mol
LogP90.09
Rot. Bonds

About 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]

1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] (PubChem CID 164990241) has the molecular formula C316H306N2O4S4 and a molecular weight of 4324.20 g/mol. Its IUPAC name is 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
PubChem CID164990241
Molecular FormulaC316H306N2O4S4
Molecular Weight4324.20 g/mol
Exact Mass4320.27
IUPAC Name1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12.CC(C)(C)c1cccc2sc3ccccc3c12.Cn1c2ccccc2c2ccc(C(C)(C)C)cc21.Cn1c2ccccc2c2cccc(C(C)(C)C)c21
InChIInChI=1S/4C29H24.2C19H22.2C17H19N.4C16H16O.4C16H16S/c1-28(2,3)26-18-10-14-22-21-13-6-9-17-25(21)29(27(22)26)23-15-7-4-11-19(23)20-12-5-8-16-24(20)29;1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-17(2,3)14-10-7-9-13-12-8-5-6-11-15(12)18(4)16(13)14;1-17(2,3)12-9-10-14-13-7-5-6-8-15(13)18(4)16(14)11-12;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h4*4-18H,1-3H3;2*6-12H,1-5H3;2*5-11H,1-4H3;8*4-10H,1-3H3
InChIKeyGTCRWPFFKOSDGD-UHFFFAOYSA-N
XLogP90.09
TPSA62.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms326
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004324.20
LogP ≤ 590.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 163986490
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;8-tert-butyl-7,7-dimethylbenzo[c]fluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;3-tert-butyl-9-methylcarbazole;4-tert-butyl-9-methylcarbazole
CID 159415420
1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene]
CID 157336148
1-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene
CID 163769384
tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
CID 159707731
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;6-tert-butylnaphtho[2,1-b][1]benzofuran;6-tert-butylnaphtho[2,1-b][1]benzothiole;4-tert-butyl-1-phenyldibenzofuran;4-tert-butyl-1-phenyldibenzothiophene
CID 160869502
1-tert-butylnaphtho[2,3-b][1]benzofuran;8-tert-butylnaphtho[2,1-b][1]benzofuran;9-tert-butylnaphtho[2,1-b][1]benzofuran;1-tert-butylnaphtho[2,3-b][1]benzothiole;2-tert-butylnaphtho[2,3-b][1]benzothiole;3-tert-butylnaphtho[2,3-b][1]benzothiole;4-tert-butylnaphtho[2,3-b][1]benzothiole;8-tert-butylnaphtho[2,1-b][1]benzothiole;9-tert-butylnaphtho[2,1-b][1]benzothiole
CID 159824565
bis(dibenzofuran);bis(dibenzothiophene);2',7'-ditert-butyl-9,9'-spirobi[fluorene];(2-methylpropane);naphtho[1,2-b][1]benzofuran;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran;naphtho[1,2-b][1]benzothiole;naphtho[2,1-b][1]benzothiole;naphtho[2,3-b][1]benzothiole;bis(9-phenylcarbazole);bis(9,9'-spirobi[fluorene]);toluene
CID 164956321
2-dibenzofuran-3-yl-9-methylcarbazole;3-dibenzofuran-2-yl-9-methylcarbazole;2-dibenzothiophen-3-yl-9-methylcarbazole;3-dibenzothiophen-2-yl-9-methylcarbazole;2-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole;3-(9,9-dimethylfluoren-3-yl)-9-methylcarbazole
CID 157082395
5,29-dioxa-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6,8,10,12,15(33),16,18,20(32),21,23,25,27,30-pentadecaene;6,28-dioxa-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene;11,23-dioxa-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2(14),3,5,7,9,12,15(33),16,18,20(32),21,24,26,28,30-pentadecaene;12,22-dioxa-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6,8,10,15(33),16,18,20(32),21(29),23,25,27,30-pentadecaene;5,29-dithia-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,6,8,10,12,15(33),16,18,20(32),21,23,25,27,30-pentadecaene;6,28-dithia-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene;5,5,29,29-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.06,11.015,33.020,32.022,30.023,28]tritriaconta-2,4(12),6,8,10,13,15(33),16,18,20,22(30),23,25,27,31-pentadecaene;6,6,28,28-tetramethyl-1-azanonacyclo[17.13.1.02,14.05,13.07,12.015,33.020,32.021,29.022,27]tritriaconta-2(14),3,5(13),7,9,11,15(33),16,18,20(32),21(29),22,24,26,30-pentadecaene
CID 164956907
1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 165098944
9-methylcarbazole;2-methyldibenzofuran;4-methyldibenzofuran;2-methyldibenzothiophene;4-methyldibenzothiophene;2-methyl-9,9-diphenylfluorene;1-methyl-2-phenylbenzene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 159801697

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]?
The IUPAC name of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] (CID 164990241) is 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] is CC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1ccc2sc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12.CC(C)(C)c1cccc2sc3ccccc3c12.Cn1c2ccccc2c2ccc(C(C)(C)C)cc21.Cn1c2ccccc2c2cccc(C(C)(C)C)c21.
What is the InChIKey of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]?
The InChIKey is GTCRWPFFKOSDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H24.2C19H22.2C17H19N.4C16H16O.4C16H16S/c1-28(2,3)26-18-10-14-22-21-13-6-9-17-25(21)29(27(22)26)23-15-7-4-11-19(23)20-12-5-8-16-24(20)29;1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-17(2,3)14-10-7-9-13-12-8-5-6-11-15(12)18(4)16(13)14;1-17(2,3)12-9-10-14-13-7-5-6-8-15(13)18(4)16(14)11-12;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h4*4-18H,1-3H3;2*6-12H,1-5H3;2*5-11H,1-4H3;8*4-10H,1-3H3.
What are the key properties of 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]?
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] has a molecular weight of 4324.20 g/mol, XLogP of 90.09, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9-methylcarbazole;2-tert-butyl-9-methylcarbazole;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 164990241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).