5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole

C148H94N14OS — CID 157359429

IUPAC5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ncsc3c2)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cccc32)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)ccc32)cc1
InChIInChI=1S/2C37H24N4.C37H23N3O.C37H23N3S/c1-3-12-25(13-4-1)39-24-38-37-33(39)20-11-21-34(37)41-32-19-10-8-17-28(32)30-22-35-29(23-36(30)41)27-16-7-9-18-31(27)40(35)26-14-5-2-6-15-26;1-3-11-25(12-4-1)39-24-38-32-21-27(19-20-35(32)39)41-34-18-10-8-16-29(34)31-22-36-30(23-37(31)41)28-15-7-9-17-33(28)40(36)26-13-5-2-6-14-26;2*1-3-11-24(12-4-1)25-19-35(37-36(20-25)41-23-38-37)40-32-18-10-8-16-28(32)30-21-33-29(22-34(30)40)27-15-7-9-17-31(27)39(33)26-13-5-2-6-14-26/h2*1-24H;2*1-23H
InChIKeyBILPMTASSRRBBS-UHFFFAOYSA-N
MW2116.54 g/mol
LogP38.29
Rot. Bonds12

About 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole

5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole (PubChem CID 157359429) has the molecular formula C148H94N14OS and a molecular weight of 2116.54 g/mol. Its IUPAC name is 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole
PubChem CID157359429
Molecular FormulaC148H94N14OS
Molecular Weight2116.54 g/mol
Exact Mass2114.75
IUPAC Name5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ncsc3c2)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cccc32)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)ccc32)cc1
InChIInChI=1S/2C37H24N4.C37H23N3O.C37H23N3S/c1-3-12-25(13-4-1)39-24-38-37-33(39)20-11-21-34(37)41-32-19-10-8-17-28(32)30-22-35-29(23-36(30)41)27-16-7-9-18-31(27)40(35)26-14-5-2-6-15-26;1-3-11-25(12-4-1)39-24-38-32-21-27(19-20-35(32)39)41-34-18-10-8-16-29(34)31-22-36-30(23-37(31)41)28-15-7-9-17-33(28)40(36)26-13-5-2-6-14-26;2*1-3-11-24(12-4-1)25-19-35(37-36(20-25)41-23-38-37)40-32-18-10-8-16-28(32)30-21-33-29(22-34(30)40)27-15-7-9-17-31(27)39(33)26-13-5-2-6-14-26/h2*1-24H;2*1-23H
InChIKeyBILPMTASSRRBBS-UHFFFAOYSA-N
XLogP38.29
TPSA114.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.54
LogP ≤ 538.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

2,6-Bis[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
CID 118532523
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-(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
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
7-[6-[3-[1-[7-[6-[3-(Benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazol-3-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]indolo[2,3-b]indol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 146631696

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole?
The IUPAC name of 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole (CID 157359429) is 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole is c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ncoc3c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)c3ncsc3c2)cc1.c1ccc(-n2cnc3c(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cccc32)cc1.c1ccc(-n2cnc3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)ccc32)cc1.
What is the InChIKey of 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole?
The InChIKey is BILPMTASSRRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H24N4.C37H23N3O.C37H23N3S/c1-3-12-25(13-4-1)39-24-38-37-33(39)20-11-21-34(37)41-32-19-10-8-17-28(32)30-22-35-29(23-36(30)41)27-16-7-9-18-31(27)40(35)26-14-5-2-6-15-26;1-3-11-25(12-4-1)39-24-38-32-21-27(19-20-35(32)39)41-34-18-10-8-16-29(34)31-22-36-30(23-37(31)41)28-15-7-9-17-33(28)40(36)26-13-5-2-6-14-26;2*1-3-11-24(12-4-1)25-19-35(37-36(20-25)41-23-38-37)40-32-18-10-8-16-28(32)30-21-33-29(22-34(30)40)27-15-7-9-17-31(27)39(33)26-13-5-2-6-14-26/h2*1-24H;2*1-23H.
What are the key properties of 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole?
5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole has a molecular weight of 2116.54 g/mol, XLogP of 38.29, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole;5-phenyl-11-(1-phenylbenzimidazol-5-yl)indolo[3,2-b]carbazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzothiazole;6-phenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-benzoxazole is sourced from PubChem (CID 157359429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).