4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole

C124H73N9O2S5 — CID 157312381

IUPAC4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ncsc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)cc3ncoc23)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)ccc32)cc1
InChIInChI=1S/C31H19N3S.2C31H18N2OS.C31H18N2S2/c1-2-8-20(9-3-1)33-19-32-26-16-21(14-15-28(26)33)34-27-12-6-4-10-22(27)24-18-31-25(17-29(24)34)23-11-5-7-13-30(23)35-31;1-2-8-19(9-3-1)23-14-20(15-26-31(23)34-18-32-26)33-27-12-6-4-10-21(27)24-17-30-25(16-28(24)33)22-11-5-7-13-29(22)35-30;1-2-8-19(9-3-1)20-14-27(31-28(15-20)34-18-32-31)33-25-12-6-4-10-21(25)23-17-30-24(16-26(23)33)22-11-5-7-13-29(22)35-30;1-2-8-19(9-3-1)20-14-27(31-30(15-20)34-18-32-31)33-25-12-6-4-10-21(25)23-17-29-24(16-26(23)33)22-11-5-7-13-28(22)35-29/h1-19H;3*1-18H
InChIKeyBDEPUZQCBQVLQC-UHFFFAOYSA-N
MW1881.34 g/mol
LogP35.84
Rot. Bonds8

About 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole

4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 157312381) has the molecular formula C124H73N9O2S5 and a molecular weight of 1881.34 g/mol. Its IUPAC name is 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID157312381
Molecular FormulaC124H73N9O2S5
Molecular Weight1881.34 g/mol
Exact Mass1879.45
IUPAC Name4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ncsc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)cc3ncoc23)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)ccc32)cc1
InChIInChI=1S/C31H19N3S.2C31H18N2OS.C31H18N2S2/c1-2-8-20(9-3-1)33-19-32-26-16-21(14-15-28(26)33)34-27-12-6-4-10-22(27)24-18-31-25(17-29(24)34)23-11-5-7-13-30(23)35-31;1-2-8-19(9-3-1)23-14-20(15-26-31(23)34-18-32-26)33-27-12-6-4-10-21(27)24-17-30-25(16-28(24)33)22-11-5-7-13-29(22)35-30;1-2-8-19(9-3-1)20-14-27(31-28(15-20)34-18-32-31)33-25-12-6-4-10-21(25)23-17-30-24(16-26(23)33)22-11-5-7-13-29(22)35-30;1-2-8-19(9-3-1)20-14-27(31-30(15-20)34-18-32-31)33-25-12-6-4-10-21(25)23-17-29-24(16-26(23)33)22-11-5-7-13-28(22)35-29/h1-19H;3*1-18H
InChIKeyBDEPUZQCBQVLQC-UHFFFAOYSA-N
XLogP35.84
TPSA102.49 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001881.34
LogP ≤ 535.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole with MolForge

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Related Compounds

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
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-(4-Phenylquinazolin-2-yl)-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 134361410
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
23-[4-(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 139310799
2-[8-[2-([1]Benzothiolo[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-[1]benzothiolo[3,2-b]carbazol-11-yl]-5-[11-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazol-8-yl]-1,3-benzoxazole
CID 146407185
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
4-[5-[4-[4-[3-[3-[5-([1]Benzothiolo[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzothiazol-6-yl]phenyl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-6-phenyl-1,3-benzoxazole
CID 146407213
8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
5-([1]Benzothiolo[2,3-a]carbazol-12-yl)-7-phenyl-2-[12-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[2,3-a]carbazol-5-yl]-1,3-benzoxazole
CID 148958797

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole (CID 157312381) is 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)c3ncsc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5sc6ccccc6c5cc43)cc3ncoc23)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)ccc32)cc1.
What is the InChIKey of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is BDEPUZQCBQVLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3S.2C31H18N2OS.C31H18N2S2/c1-2-8-20(9-3-1)33-19-32-26-16-21(14-15-28(26)33)34-27-12-6-4-10-22(27)24-18-31-25(17-29(24)34)23-11-5-7-13-30(23)35-31;1-2-8-19(9-3-1)23-14-20(15-26-31(23)34-18-32-26)33-27-12-6-4-10-21(27)24-17-30-25(16-28(24)33)22-11-5-7-13-29(22)35-30;1-2-8-19(9-3-1)20-14-27(31-28(15-20)34-18-32-31)33-25-12-6-4-10-21(25)23-17-30-24(16-26(23)33)22-11-5-7-13-29(22)35-30;1-2-8-19(9-3-1)20-14-27(31-30(15-20)34-18-32-31)33-25-12-6-4-10-21(25)23-17-29-24(16-26(23)33)22-11-5-7-13-28(22)35-29/h1-19H;3*1-18H.
What are the key properties of 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole?
4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1881.34 g/mol, XLogP of 35.84, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzothiolo[3,2-b]carbazol-11-yl)-6-phenyl-1,3-benzoxazole;5-([1]benzothiolo[3,2-b]carbazol-11-yl)-7-phenyl-1,3-benzoxazole;11-(1-phenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-b]carbazole;11-(6-phenyl-1,3-benzothiazol-4-yl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 157312381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).