2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine

C130H96N10S5 — CID 165080752

IUPAC2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-n1c(nc3ccccc31)SC2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)-n2c(nc4ccccc42)SC3)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)-n2c(nc4ccccc42)SC3)cc1.c1ccc2c(c1)nc1n2-c2cc(-c3cccc4c3sc3ccccc34)ccc2CS1
InChIInChI=1S/C38H25N3S.C34H33N3S.C32H22N2S.C26H16N2S2/c1-3-9-25(10-4-1)27-16-19-34-31(21-27)32-22-28(26-11-5-2-6-12-26)17-20-35(32)40(34)30-18-15-29-24-42-38-39-33-13-7-8-14-36(33)41(38)37(29)23-30;1-33(2,3)22-12-15-28-25(17-22)26-18-23(34(4,5)6)13-16-29(26)36(28)24-14-11-21-20-38-32-35-27-9-7-8-10-30(27)37(32)31(21)19-24;1-3-10-22(11-4-1)26-14-9-15-27(23-12-5-2-6-13-23)31(26)24-18-19-25-21-35-32-33-28-16-7-8-17-29(28)34(32)30(25)20-24;1-4-11-24-19(6-1)20-8-5-7-18(25(20)30-24)16-12-13-17-15-29-26-27-21-9-2-3-10-22(21)28(26)23(17)14-16/h1-23H,24H2;7-19H,20H2,1-6H3;1-20H,21H2;1-14H,15H2
InChIKeyVBNRMFNTTLBHMT-UHFFFAOYSA-N
MW1958.60 g/mol
LogP35.68
Rot. Bonds8

About 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine

2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine (PubChem CID 165080752) has the molecular formula C130H96N10S5 and a molecular weight of 1958.60 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
PubChem CID165080752
Molecular FormulaC130H96N10S5
Molecular Weight1958.60 g/mol
Exact Mass1956.64
IUPAC Name2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-n1c(nc3ccccc31)SC2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)-n2c(nc4ccccc42)SC3)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)-n2c(nc4ccccc42)SC3)cc1.c1ccc2c(c1)nc1n2-c2cc(-c3cccc4c3sc3ccccc34)ccc2CS1
InChIInChI=1S/C38H25N3S.C34H33N3S.C32H22N2S.C26H16N2S2/c1-3-9-25(10-4-1)27-16-19-34-31(21-27)32-22-28(26-11-5-2-6-12-26)17-20-35(32)40(34)30-18-15-29-24-42-38-39-33-13-7-8-14-36(33)41(38)37(29)23-30;1-33(2,3)22-12-15-28-25(17-22)26-18-23(34(4,5)6)13-16-29(26)36(28)24-14-11-21-20-38-32-35-27-9-7-8-10-30(27)37(32)31(21)19-24;1-3-10-22(11-4-1)26-14-9-15-27(23-12-5-2-6-13-23)31(26)24-18-19-25-21-35-32-33-28-16-7-8-17-29(28)34(32)30(25)20-24;1-4-11-24-19(6-1)20-8-5-7-18(25(20)30-24)16-12-13-17-15-29-26-27-21-9-2-3-10-22(21)28(26)23(17)14-16/h1-23H,24H2;7-19H,20H2,1-6H3;1-20H,21H2;1-14H,15H2
InChIKeyVBNRMFNTTLBHMT-UHFFFAOYSA-N
XLogP35.68
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.60
LogP ≤ 535.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine with MolForge

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Related Compounds

9-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[4-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-dibenzothiophen-4-ylcarbazole
CID 158103298
3-dibenzothiophen-4-yl-9-[3-[1-(2-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 67816856
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
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-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
14-(6-dibenzothiophen-2-yldibenzothiophen-4-yl)-5-(3,6-ditert-butylcarbazol-9-yl)-11,17-bis(3,5-ditert-butylphenyl)-8-(2,4-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 176586045
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
The IUPAC name of 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine (CID 165080752) is 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-n1c(nc3ccccc31)SC2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)-n2c(nc4ccccc42)SC3)cc1.c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)-n2c(nc4ccccc42)SC3)cc1.c1ccc2c(c1)nc1n2-c2cc(-c3cccc4c3sc3ccccc34)ccc2CS1.
What is the InChIKey of 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
The InChIKey is VBNRMFNTTLBHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3S.C34H33N3S.C32H22N2S.C26H16N2S2/c1-3-9-25(10-4-1)27-16-19-34-31(21-27)32-22-28(26-11-5-2-6-12-26)17-20-35(32)40(34)30-18-15-29-24-42-38-39-33-13-7-8-14-36(33)41(38)37(29)23-30;1-33(2,3)22-12-15-28-25(17-22)26-18-23(34(4,5)6)13-16-29(26)36(28)24-14-11-21-20-38-32-35-27-9-7-8-10-30(27)37(32)31(21)19-24;1-3-10-22(11-4-1)26-14-9-15-27(23-12-5-2-6-13-23)31(26)24-18-19-25-21-35-32-33-28-16-7-8-17-29(28)34(32)30(25)20-24;1-4-11-24-19(6-1)20-8-5-7-18(25(20)30-24)16-12-13-17-15-29-26-27-21-9-2-3-10-22(21)28(26)23(17)14-16/h1-23H,24H2;7-19H,20H2,1-6H3;1-20H,21H2;1-14H,15H2.
What are the key properties of 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine has a molecular weight of 1958.60 g/mol, XLogP of 35.68, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-ditert-butylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(3,6-diphenylcarbazol-9-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine;2-(2,6-diphenylphenyl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine is sourced from PubChem (CID 165080752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).