12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole

C152H90N14O9S — CID 158134241

IUPAC12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole
SMILESCn1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)nc2ccccc21.Cn1cnc2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4ncoc4c3)c21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4ocnc4c3)c21.c1ccc2oc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc2c1.c1ccc2sc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc2c1
InChIInChI=1S/2C26H17N3O.3C25H14N2O2.C25H14N2OS/c1-28-22-12-6-4-10-20(22)27-26(28)29-21-11-5-2-8-16(21)18-14-15-19-17-9-3-7-13-23(17)30-25(19)24(18)29;1-28-15-27-21-14-16(10-13-23(21)28)29-22-8-4-2-6-17(22)19-11-12-20-18-7-3-5-9-24(18)30-26(20)25(19)29;1-4-10-20-15(7-1)17-13-14-18-16-8-2-5-11-21(16)28-24(18)23(17)27(20)25-26-19-9-3-6-12-22(19)29-25;1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-22(17)29-25(19)24(18)27(21)15-9-12-23-20(13-15)26-14-28-23;1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-22(17)29-25(19)24(18)27(21)15-9-12-20-23(13-15)28-14-26-20;1-4-10-20-15(7-1)17-13-14-18-16-8-2-5-11-21(16)28-24(18)23(17)27(20)25-26-19-9-3-6-12-22(19)29-25/h2*2-15H,1H3;4*1-14H
InChIKeyFTDPOZAAIMKCGO-UHFFFAOYSA-N
MW2288.55 g/mol
LogP40.91
Rot. Bonds6

About 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole

12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 158134241) has the molecular formula C152H90N14O9S and a molecular weight of 2288.55 g/mol. Its IUPAC name is 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID158134241
Molecular FormulaC152H90N14O9S
Molecular Weight2288.55 g/mol
Exact Mass2286.67
IUPAC Name12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole
SMILESCn1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)nc2ccccc21.Cn1cnc2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4ncoc4c3)c21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4ocnc4c3)c21.c1ccc2oc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc2c1.c1ccc2sc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc2c1
InChIInChI=1S/2C26H17N3O.3C25H14N2O2.C25H14N2OS/c1-28-22-12-6-4-10-20(22)27-26(28)29-21-11-5-2-8-16(21)18-14-15-19-17-9-3-7-13-23(17)30-25(19)24(18)29;1-28-15-27-21-14-16(10-13-23(21)28)29-22-8-4-2-6-17(22)19-11-12-20-18-7-3-5-9-24(18)30-26(20)25(19)29;1-4-10-20-15(7-1)17-13-14-18-16-8-2-5-11-21(16)28-24(18)23(17)27(20)25-26-19-9-3-6-12-22(19)29-25;1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-22(17)29-25(19)24(18)27(21)15-9-12-23-20(13-15)26-14-28-23;1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-22(17)29-25(19)24(18)27(21)15-9-12-20-23(13-15)28-14-26-20;1-4-10-20-15(7-1)17-13-14-18-16-8-2-5-11-21(16)28-24(18)23(17)27(20)25-26-19-9-3-6-12-22(19)29-25/h2*2-15H,1H3;4*1-14H
InChIKeyFTDPOZAAIMKCGO-UHFFFAOYSA-N
XLogP40.91
TPSA235.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.55
LogP ≤ 540.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

3-Dibenzothiophen-4-yl-17,18-diphenyl-23-oxa-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),18,21-decaene
CID 122524255
6,35-Dimethyl-51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene
CID 122694695
51,60-Dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26(54),27,29(53),31,33(52),34,36,38,41,43(50),44,46(49),47,55,57-hexacosaene
CID 122694701
14,27-Dimethyl-51,60-dioxa-1,3,9,11,16,25,30,32,38,40-decazapentadecacyclo[38.8.2.212,15.219,22.226,29.12,5.14,8.130,33.136,39.016,20.021,25.043,50.046,49.011,59.037,52]hexaconta-2,4,6,8(59),9,12,14,17,19,21,23,26,28,31,33(52),34,36,38,41,43(50),44,46(49),47,53,55,57-hexacosaene
CID 122694705
5-[3-[[2-([1]Benzothiolo[3,2-b]carbazol-11-yl)benzimidazol-1-yl]methyl]-10-[11-(1-methylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazol-4-yl]-[1]benzothiolo[3,2-b]carbazol-11-yl]-1,3-benzoxazole
CID 130369536
6-Phenyl-4-[2-[12-(1-phenylbenzimidazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-8-[12-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369559
6-Phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole
CID 130369639
5-[2-[2-[12-(1,3-Benzothiazol-4-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-12-(1-methylbenzimidazol-5-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369696
4-([1]Benzothiolo[2,3-a]carbazol-12-yl)-2-[12-[2-(12-isoquinolin-5-yl-[1]benzothiolo[2,3-a]carbazol-9-yl)-1-methylbenzimidazol-4-yl]-[1]benzothiolo[2,3-a]carbazol-9-yl]-1,3-benzoxazole
CID 130369698
23-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-3-oxa-14-thia-12,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),12,17,19,21-decaene
CID 134361602
2-[1-Methyl-7-[7-(3-methylbenzimidazol-4-yl)phenanthren-1-yl]benzimidazol-4-yl]-7-[7-[4-[1-methyl-7-[7-(3-methylbenzimidazol-4-yl)phenanthren-2-yl]benzimidazol-4-yl]-1,3-benzoxazol-7-yl]phenanthren-2-yl]-1,3-benzoxazole
CID 137458647
3-[3-[5-([1]Benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 146407209

Frequently Asked Questions

What is the IUPAC name of 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole (CID 158134241) is 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole is Cn1c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)nc2ccccc21.Cn1cnc2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)ccc21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4ncoc4c3)c21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc4ocnc4c3)c21.c1ccc2oc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc2c1.c1ccc2sc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc2c1.
What is the InChIKey of 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is FTDPOZAAIMKCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H17N3O.3C25H14N2O2.C25H14N2OS/c1-28-22-12-6-4-10-20(22)27-26(28)29-21-11-5-2-8-16(21)18-14-15-19-17-9-3-7-13-23(17)30-25(19)24(18)29;1-28-15-27-21-14-16(10-13-23(21)28)29-22-8-4-2-6-17(22)19-11-12-20-18-7-3-5-9-24(18)30-26(20)25(19)29;1-4-10-20-15(7-1)17-13-14-18-16-8-2-5-11-21(16)28-24(18)23(17)27(20)25-26-19-9-3-6-12-22(19)29-25;1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-22(17)29-25(19)24(18)27(21)15-9-12-23-20(13-15)26-14-28-23;1-3-7-21-16(5-1)18-10-11-19-17-6-2-4-8-22(17)29-25(19)24(18)27(21)15-9-12-20-23(13-15)28-14-26-20;1-4-10-20-15(7-1)17-13-14-18-16-8-2-5-11-21(16)28-24(18)23(17)27(20)25-26-19-9-3-6-12-22(19)29-25/h2*2-15H,1H3;4*1-14H.
What are the key properties of 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole?
12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 2288.55 g/mol, XLogP of 40.91, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-5-yl)-[1]benzofuro[2,3-a]carbazole;12-(1,3-benzoxazol-6-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-2-yl)-[1]benzofuro[2,3-a]carbazole;12-(1-methylbenzimidazol-5-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 158134241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).