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

C138H86N6S3 — CID 160860799

IUPAC12-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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6sc5c5c4c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/2C48H30N2S.C42H26N2S/c1-3-14-31(15-4-1)32-16-13-19-35(28-32)49-42-23-10-7-20-36(42)40-29-33(26-27-44(40)49)39-30-41-37-21-9-12-25-45(37)51-48(41)47-46(39)38-22-8-11-24-43(38)50(47)34-17-5-2-6-18-34;1-3-13-31(14-4-1)32-23-26-35(27-24-32)49-42-20-10-7-17-36(42)40-29-33(25-28-44(40)49)39-30-41-37-18-9-12-22-45(37)51-48(41)47-46(39)38-19-8-11-21-43(38)50(47)34-15-5-2-6-16-34;1-3-13-28(14-4-1)43-36-20-10-7-17-30(36)34-25-27(23-24-38(34)43)33-26-35-31-18-9-12-22-39(31)45-42(35)41-40(33)32-19-8-11-21-37(32)44(41)29-15-5-2-6-16-29/h2*1-30H;1-26H
InChIKeySKLMQDXBPBSIKC-UHFFFAOYSA-N
MW1924.45 g/mol
LogP39.08
Rot. Bonds11

About 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

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 (PubChem CID 160860799) has the molecular formula C138H86N6S3 and a molecular weight of 1924.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-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
PubChem CID160860799
Molecular FormulaC138H86N6S3
Molecular Weight1924.45 g/mol
Exact Mass1922.61
IUPAC Name12-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
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6sc5c5c4c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/2C48H30N2S.C42H26N2S/c1-3-14-31(15-4-1)32-16-13-19-35(28-32)49-42-23-10-7-20-36(42)40-29-33(26-27-44(40)49)39-30-41-37-21-9-12-25-45(37)51-48(41)47-46(39)38-22-8-11-24-43(38)50(47)34-17-5-2-6-18-34;1-3-13-31(14-4-1)32-23-26-35(27-24-32)49-42-20-10-7-17-36(42)40-29-33(25-28-44(40)49)39-30-41-37-18-9-12-22-45(37)51-48(41)47-46(39)38-19-8-11-21-43(38)50(47)34-15-5-2-6-16-34;1-3-13-28(14-4-1)43-36-20-10-7-17-30(36)34-25-27(23-24-38(34)43)33-26-35-31-18-9-12-22-39(31)45-42(35)41-40(33)32-19-8-11-21-37(32)44(41)29-15-5-2-6-16-29/h2*1-30H;1-26H
InChIKeySKLMQDXBPBSIKC-UHFFFAOYSA-N
XLogP39.08
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001924.45
LogP ≤ 539.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 134530228
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
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
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
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
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6sc5c5c4c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is SKLMQDXBPBSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N2S.C42H26N2S/c1-3-14-31(15-4-1)32-16-13-19-35(28-32)49-42-23-10-7-20-36(42)40-29-33(26-27-44(40)49)39-30-41-37-21-9-12-25-45(37)51-48(41)47-46(39)38-22-8-11-24-43(38)50(47)34-17-5-2-6-18-34;1-3-13-31(14-4-1)32-23-26-35(27-24-32)49-42-20-10-7-17-36(42)40-29-33(25-28-44(40)49)39-30-41-37-18-9-12-22-45(37)51-48(41)47-46(39)38-19-8-11-21-43(38)50(47)34-15-5-2-6-16-34;1-3-13-28(14-4-1)43-36-20-10-7-17-30(36)34-25-27(23-24-38(34)43)33-26-35-31-18-9-12-22-39(31)45-42(35)41-40(33)32-19-8-11-21-37(32)44(41)29-15-5-2-6-16-29/h2*1-30H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 1924.45 g/mol, XLogP of 39.08, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).