5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole

C154H96N6S3 — CID 160706805

IUPAC5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6ccccc6sc5c43)c2)cc1
InChIInChI=1S/C54H34N2S.C52H32N2S.C48H30N2S/c1-3-14-35(15-4-1)37-26-29-40(30-27-37)55-48-23-10-7-20-42(48)46-33-39(28-31-50(46)55)45-34-47-43-21-9-12-25-51(43)57-54(47)53-52(45)44-22-8-11-24-49(44)56(53)41-19-13-18-38(32-41)36-16-5-2-6-17-36;1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-47-22-10-7-20-41(47)50-42(32-44-40-19-8-11-24-49(40)55-52(44)51(50)53)36-27-30-48-43(31-36)39-18-6-9-21-46(39)54(48)45-23-12-16-35-15-4-5-17-38(35)45;1-3-14-31(15-4-1)32-16-13-19-35(28-32)50-43-24-11-8-22-38(43)46-39(30-41-37-21-9-12-25-45(37)51-48(41)47(46)50)33-26-27-44-40(29-33)36-20-7-10-23-42(36)49(44)34-17-5-2-6-18-34/h1-34H;1-32H;1-30H
InChIKeyRRIIINYDXZVMIM-UHFFFAOYSA-N
MW2126.70 g/mol
LogP43.57
Rot. Bonds13

About 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole

5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 160706805) has the molecular formula C154H96N6S3 and a molecular weight of 2126.70 g/mol. Its IUPAC name is 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID160706805
Molecular FormulaC154H96N6S3
Molecular Weight2126.70 g/mol
Exact Mass2124.69
IUPAC Name5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6ccccc6sc5c43)c2)cc1
InChIInChI=1S/C54H34N2S.C52H32N2S.C48H30N2S/c1-3-14-35(15-4-1)37-26-29-40(30-27-37)55-48-23-10-7-20-42(48)46-33-39(28-31-50(46)55)45-34-47-43-21-9-12-25-51(43)57-54(47)53-52(45)44-22-8-11-24-49(44)56(53)41-19-13-18-38(32-41)36-16-5-2-6-17-36;1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-47-22-10-7-20-41(47)50-42(32-44-40-19-8-11-24-49(40)55-52(44)51(50)53)36-27-30-48-43(31-36)39-18-6-9-21-46(39)54(48)45-23-12-16-35-15-4-5-17-38(35)45;1-3-14-31(15-4-1)32-16-13-19-35(28-32)50-43-24-11-8-22-38(43)46-39(30-41-37-21-9-12-25-45(37)51-48(41)47(46)50)33-26-27-44-40(29-33)36-20-7-10-23-42(36)49(44)34-17-5-2-6-18-34/h1-34H;1-32H;1-30H
InChIKeyRRIIINYDXZVMIM-UHFFFAOYSA-N
XLogP43.57
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002126.70
LogP ≤ 543.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530240
12-naphthalen-2-yl-5-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-2-yl-5-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159922238
12-phenyl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160860799
5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 134530228
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;6-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 161013402
12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 159473458
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole
CID 146532925
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 155305808
7-(3-dibenzothiophen-4-ylphenyl)-5,12-diphenylindolo[3,2-a]carbazole;12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 159461030
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635

Frequently Asked Questions

What is the IUPAC name of 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole (CID 160706805) is 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6sc5c43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc5c6ccccc6sc5c43)c2)cc1.
What is the InChIKey of 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is RRIIINYDXZVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S.C52H32N2S.C48H30N2S/c1-3-14-35(15-4-1)37-26-29-40(30-27-37)55-48-23-10-7-20-42(48)46-33-39(28-31-50(46)55)45-34-47-43-21-9-12-25-51(43)57-54(47)53-52(45)44-22-8-11-24-49(44)56(53)41-19-13-18-38(32-41)36-16-5-2-6-17-36;1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-47-22-10-7-20-41(47)50-42(32-44-40-19-8-11-24-49(40)55-52(44)51(50)53)36-27-30-48-43(31-36)39-18-6-9-21-46(39)54(48)45-23-12-16-35-15-4-5-17-38(35)45;1-3-14-31(15-4-1)32-16-13-19-35(28-32)50-43-24-11-8-22-38(43)46-39(30-41-37-21-9-12-25-45(37)51-48(41)47(46)50)33-26-27-44-40(29-33)36-20-7-10-23-42(36)49(44)34-17-5-2-6-18-34/h1-34H;1-32H;1-30H.
What are the key properties of 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2126.70 g/mol, XLogP of 43.57, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 160706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).