6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole

C133H114N16S — CID 158095794

IUPAC6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(C)n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2n2c3ccccc3nc12.CC(C)(C)n1c2ccccc2n2c3cc(-c4ccccc4)ccc3nc12.CC(C)(C)n1c2ccccc2n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3nc12.CC(C)(C)n1c2ccccc2n2c3ccc(-c4ccccc4)cc3nc12.CC(C)(C)n1c2ccccc2n2c3cccc(-c4ccccc4)c3nc12
InChIInChI=1S/C35H28N4.C29H23N3S.3C23H21N3/c1-35(2,3)39-32-20-18-24(22-33(32)38-31-16-10-8-14-28(31)36-34(38)39)23-17-19-30-27(21-23)26-13-7-9-15-29(26)37(30)25-11-5-4-6-12-25;1-29(2,3)32-25-10-6-5-9-24(25)31-23-14-12-19(17-22(23)30-28(31)32)18-13-15-27-21(16-18)20-8-4-7-11-26(20)33-27;1-23(2,3)26-19-14-8-7-13-18(19)25-20-15-9-12-17(21(20)24-22(25)26)16-10-5-4-6-11-16;1-23(2,3)26-21-12-8-7-11-20(21)25-19-14-13-17(15-18(19)24-22(25)26)16-9-5-4-6-10-16;1-23(2,3)26-20-12-8-7-11-19(20)25-21-15-17(16-9-5-4-6-10-16)13-14-18(21)24-22(25)26/h4-22H,1-3H3;4-17H,1-3H3;3*4-15H,1-3H3
InChIKeyFOQJWEMPWVRIQI-UHFFFAOYSA-N
MW1968.55 g/mol
LogP34.79
Rot. Bonds6

About 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole

6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 158095794) has the molecular formula C133H114N16S and a molecular weight of 1968.55 g/mol. Its IUPAC name is 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID158095794
Molecular FormulaC133H114N16S
Molecular Weight1968.55 g/mol
Exact Mass1966.91
IUPAC Name6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
SMILESCC(C)(C)n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2n2c3ccccc3nc12.CC(C)(C)n1c2ccccc2n2c3cc(-c4ccccc4)ccc3nc12.CC(C)(C)n1c2ccccc2n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3nc12.CC(C)(C)n1c2ccccc2n2c3ccc(-c4ccccc4)cc3nc12.CC(C)(C)n1c2ccccc2n2c3cccc(-c4ccccc4)c3nc12
InChIInChI=1S/C35H28N4.C29H23N3S.3C23H21N3/c1-35(2,3)39-32-20-18-24(22-33(32)38-31-16-10-8-14-28(31)36-34(38)39)23-17-19-30-27(21-23)26-13-7-9-15-29(26)37(30)25-11-5-4-6-12-25;1-29(2,3)32-25-10-6-5-9-24(25)31-23-14-12-19(17-22(23)30-28(31)32)18-13-15-27-21(16-18)20-8-4-7-11-26(20)33-27;1-23(2,3)26-19-14-8-7-13-18(19)25-20-15-9-12-17(21(20)24-22(25)26)16-10-5-4-6-11-16;1-23(2,3)26-21-12-8-7-11-20(21)25-19-14-13-17(15-18(19)24-22(25)26)16-9-5-4-6-10-16;1-23(2,3)26-20-12-8-7-11-19(20)25-21-15-17(16-9-5-4-6-10-16)13-14-18(21)24-22(25)26/h4-22H,1-3H3;4-17H,1-3H3;3*4-15H,1-3H3
InChIKeyFOQJWEMPWVRIQI-UHFFFAOYSA-N
XLogP34.79
TPSA116.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001968.55
LogP ≤ 534.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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Related Compounds

3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;4-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-6-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;5-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-1-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-1-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;6-phenyl-4-(6-phenylbenzimidazolo[1,2-a]benzimidazol-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 158744801
[2-[2-[6-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-2-pyridinyl]benzimidazolo[1,2-a]benzimidazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]-6-carbazol-9-yl-4-pyridinyl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093669
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315805
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
14-(3-dibenzothiophen-4-ylphenyl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-(4-dibenzothiophen-2-ylphenyl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;14-[4-(9-phenylcarbazol-3-yl)phenyl]-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 157268753
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[3-[6-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-6-[[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilyl]-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]carbazol-9-yl]-1,3,5-triazin-2-yl]-dibenzothiophen-2-yl-diphenylsilane
CID 174093611

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole (CID 158095794) is 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole is CC(C)(C)n1c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2n2c3ccccc3nc12.CC(C)(C)n1c2ccccc2n2c3cc(-c4ccccc4)ccc3nc12.CC(C)(C)n1c2ccccc2n2c3ccc(-c4ccc5sc6ccccc6c5c4)cc3nc12.CC(C)(C)n1c2ccccc2n2c3ccc(-c4ccccc4)cc3nc12.CC(C)(C)n1c2ccccc2n2c3cccc(-c4ccccc4)c3nc12.
What is the InChIKey of 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is FOQJWEMPWVRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4.C29H23N3S.3C23H21N3/c1-35(2,3)39-32-20-18-24(22-33(32)38-31-16-10-8-14-28(31)36-34(38)39)23-17-19-30-27(21-23)26-13-7-9-15-29(26)37(30)25-11-5-4-6-12-25;1-29(2,3)32-25-10-6-5-9-24(25)31-23-14-12-19(17-22(23)30-28(31)32)18-13-15-27-21(16-18)20-8-4-7-11-26(20)33-27;1-23(2,3)26-19-14-8-7-13-18(19)25-20-15-9-12-17(21(20)24-22(25)26)16-10-5-4-6-11-16;1-23(2,3)26-21-12-8-7-11-20(21)25-19-14-13-17(15-18(19)24-22(25)26)16-9-5-4-6-10-16;1-23(2,3)26-20-12-8-7-11-19(20)25-21-15-17(16-9-5-4-6-10-16)13-14-18(21)24-22(25)26/h4-22H,1-3H3;4-17H,1-3H3;3*4-15H,1-3H3.
What are the key properties of 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole?
6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1968.55 g/mol, XLogP of 34.79, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-dibenzothiophen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-3-phenylbenzimidazolo[1,2-a]benzimidazole;6-tert-butyl-4-phenylbenzimidazolo[1,2-a]benzimidazole;5-tert-butyl-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 158095794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).