3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole

C106H72N4S4 — CID 159813733

IUPAC3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc1.Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1.Cc1cccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
InChIInChI=1S/C31H21NS.3C25H17NS/c1-20-8-6-9-22(18-20)32-28-14-4-2-10-24(28)27-19-21(16-17-29(27)32)23-12-7-13-26-25-11-3-5-15-30(25)33-31(23)26;1-16-7-6-8-17(15-16)26-22-11-4-2-9-18(22)20-13-14-21-19-10-3-5-12-23(19)27-25(21)24(20)26;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-15-25-21(14-23(20)26)19-7-3-5-9-24(19)27-25;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-14-15-21-19-7-3-5-9-23(19)27-25(21)24(20)26/h2-19H,1H3;3*2-15H,1H3
InChIKeyNLIWJOHFTGJNDA-UHFFFAOYSA-N
MW1530.04 g/mol
LogP31.51
Rot. Bonds5

About 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole

3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole (PubChem CID 159813733) has the molecular formula C106H72N4S4 and a molecular weight of 1530.04 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole
PubChem CID159813733
Molecular FormulaC106H72N4S4
Molecular Weight1530.04 g/mol
Exact Mass1528.46
IUPAC Name3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc1.Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1.Cc1cccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
InChIInChI=1S/C31H21NS.3C25H17NS/c1-20-8-6-9-22(18-20)32-28-14-4-2-10-24(28)27-19-21(16-17-29(27)32)23-12-7-13-26-25-11-3-5-15-30(25)33-31(23)26;1-16-7-6-8-17(15-16)26-22-11-4-2-9-18(22)20-13-14-21-19-10-3-5-12-23(19)27-25(21)24(20)26;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-15-25-21(14-23(20)26)19-7-3-5-9-24(19)27-25;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-14-15-21-19-7-3-5-9-23(19)27-25(21)24(20)26/h2-19H,1H3;3*2-15H,1H3
InChIKeyNLIWJOHFTGJNDA-UHFFFAOYSA-N
XLogP31.51
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001530.04
LogP ≤ 531.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 138622688
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
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
3-(4-carbazol-9-yl-2-methylphenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 121287072
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(3-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(3-methylphenyl)-3-[9-(3-methylphenyl)carbazol-3-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 158245607
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 145080082
9-dibenzothiophen-4-yl-5-(3-methylphenyl)-1,5-diazaheptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-2,4(12),6(11),7,9,13,15,17,19,21,23,25,27-tridecaene
CID 144906773

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole (CID 159813733) is 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole is Cc1ccc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc1.Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1.Cc1cccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is NLIWJOHFTGJNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NS.3C25H17NS/c1-20-8-6-9-22(18-20)32-28-14-4-2-10-24(28)27-19-21(16-17-29(27)32)23-12-7-13-26-25-11-3-5-15-30(25)33-31(23)26;1-16-7-6-8-17(15-16)26-22-11-4-2-9-18(22)20-13-14-21-19-10-3-5-12-23(19)27-25(21)24(20)26;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-15-25-21(14-23(20)26)19-7-3-5-9-24(19)27-25;1-16-10-12-17(13-11-16)26-22-8-4-2-6-18(22)20-14-15-21-19-7-3-5-9-23(19)27-25(21)24(20)26/h2-19H,1H3;3*2-15H,1H3.
What are the key properties of 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole?
3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 1530.04 g/mol, XLogP of 31.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-(3-methylphenyl)carbazole;12-(3-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(4-methylphenyl)-[1]benzothiolo[2,3-a]carbazole;11-(4-methylphenyl)-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 159813733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).