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

C411H514N2O5S5 — CID 164956321

IUPACbis(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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)ccc1-2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)ccc1c3ccccc3oc21.c1ccc2c(c1)ccc1c3ccccc3sc21.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2c(c1)ccc1sc3ccccc3c12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3c(cc2c1)oc1ccccc13.c1ccc2cc3c(cc2c1)sc1ccccc13
InChIInChI=1S/C33H32.2C25H16.2C18H13N.3C16H10O.3C16H10S.2C12H8O.2C12H8S.4C7H8.30C4H10/c1-31(2,3)21-15-17-25-26-18-16-22(32(4,5)6)20-30(26)33(29(25)19-21)27-13-9-7-11-23(27)24-12-8-10-14-28(24)33;2*1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;4*1-7-5-3-2-4-6-7;30*1-4(2)3/h7-20H,1-6H3;2*1-16H;2*1-13H;6*1-10H;4*1-8H;4*2-6H,1H3;30*4H,1-3H3
InChIKeyBFJNOEZKNMWOKY-UHFFFAOYSA-N
MW5722.98 g/mol
LogP133.22
Rot. Bonds2

About 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

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 (PubChem CID 164956321) has the molecular formula C411H514N2O5S5 and a molecular weight of 5722.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID164956321
Molecular FormulaC411H514N2O5S5
Molecular Weight5722.98 g/mol
Exact Mass5717.86
IUPAC Namebis(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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)ccc1-2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)ccc1c3ccccc3oc21.c1ccc2c(c1)ccc1c3ccccc3sc21.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2c(c1)ccc1sc3ccccc3c12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3c(cc2c1)oc1ccccc13.c1ccc2cc3c(cc2c1)sc1ccccc13
InChIInChI=1S/C33H32.2C25H16.2C18H13N.3C16H10O.3C16H10S.2C12H8O.2C12H8S.4C7H8.30C4H10/c1-31(2,3)21-15-17-25-26-18-16-22(32(4,5)6)20-30(26)33(29(25)19-21)27-13-9-7-11-23(27)24-12-8-10-14-28(24)33;2*1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;4*1-7-5-3-2-4-6-7;30*1-4(2)3/h7-20H,1-6H3;2*1-16H;2*1-13H;6*1-10H;4*1-8H;4*2-6H,1H3;30*4H,1-3H3
InChIKeyBFJNOEZKNMWOKY-UHFFFAOYSA-N
XLogP133.22
TPSA75.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms423
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005722.98
LogP ≤ 5133.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

3-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-(10-dibenzothiophen-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole;2-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)dibenzofuran;4-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)dibenzofuran;3-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)-9-phenylcarbazole;9-[4-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)phenyl]carbazole
CID 158688512
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)-9-(3-phenylphenyl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;9-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]carbazole
CID 157296217
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
12-[1-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-[7-[4-dibenzothiophen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole;5-[7-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 165050037
3-tert-butyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(4-dibenzofuran-2-ylphenyl)-15-thia-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;bis(3-methyl-12-phenyl-[1]benzothiolo[2,3-a]carbazole)
CID 160782954
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine;N,N-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine;N,9-diphenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylcarbazol-3-amine;N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-yldibenzofuran-4-amine;N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-yldibenzothiophen-4-amine
CID 158101020
11-dibenzofuran-1-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzofuran-2-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzofuran-4-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzothiophen-1-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzothiophen-3-yl-12,12-dimethylindeno[2,1-a]carbazole;11-dibenzothiophen-4-yl-12,12-dimethylindeno[2,1-a]carbazole;11-(9,9-dimethylfluoren-3-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-1-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 160594005
6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene;18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-10-oxa-22-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16(21),17,19-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-3-oxa-16-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene;20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-oxa-16-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 163607893
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
2-tert-butyl-9,9-dimethyl-7-phenylfluorene;4-tert-butyl-N,N-diphenylaniline;11-(4-tert-butylphenyl)benzo[a]carbazole;7-(4-tert-butylphenyl)benzo[c]carbazole;3-(4-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzothiophene;2-(4-tert-butylphenyl)-9,9-dimethylfluorene
CID 158265577
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
11-(4-carbazol-9-ylphenyl)-[1]benzothiolo[3,2-b]carbazole;11-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole;12-phenyl-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-phenyl-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 158677567

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)ccc1-2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)ccc1c3ccccc3oc21.c1ccc2c(c1)ccc1c3ccccc3sc21.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2c(c1)ccc1sc3ccccc3c12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3c(cc2c1)oc1ccccc13.c1ccc2cc3c(cc2c1)sc1ccccc13.
What is the InChIKey of 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?
The InChIKey is BFJNOEZKNMWOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32.2C25H16.2C18H13N.3C16H10O.3C16H10S.2C12H8O.2C12H8S.4C7H8.30C4H10/c1-31(2,3)21-15-17-25-26-18-16-22(32(4,5)6)20-30(26)33(29(25)19-21)27-13-9-7-11-23(27)24-12-8-10-14-28(24)33;2*1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;4*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;4*1-7-5-3-2-4-6-7;30*1-4(2)3/h7-20H,1-6H3;2*1-16H;2*1-13H;6*1-10H;4*1-8H;4*2-6H,1H3;30*4H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 5722.98 g/mol, XLogP of 133.22, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164956321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).