5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

C90H55N3S3 — CID 158127290

IUPAC5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c3ccc3c2c2ccccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H30N2S.C42H25NS2/c1-3-11-31(12-4-1)34-22-27-44-41(30-34)47-45(28-25-39-38-16-8-10-18-46(38)51-48(39)47)50(44)36-23-19-32(20-24-36)33-21-26-43-40(29-33)37-15-7-9-17-42(37)49(43)35-13-5-2-6-14-35;1-2-10-26(11-3-1)29-14-9-17-33-34-24-25-37-39(42(34)45-41(29)33)35-13-4-6-18-36(35)43(37)28-22-20-27(21-23-28)30-15-8-16-32-31-12-5-7-19-38(31)44-40(30)32/h1-30H;1-25H
InChIKeyFSINAPJITCRORR-UHFFFAOYSA-N
MW1274.65 g/mol
LogP26.44
Rot. Bonds7

About 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole

5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 158127290) has the molecular formula C90H55N3S3 and a molecular weight of 1274.65 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID158127290
Molecular FormulaC90H55N3S3
Molecular Weight1274.65 g/mol
Exact Mass1273.36
IUPAC Name5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c3ccc3c2c2ccccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H30N2S.C42H25NS2/c1-3-11-31(12-4-1)34-22-27-44-41(30-34)47-45(28-25-39-38-16-8-10-18-46(38)51-48(39)47)50(44)36-23-19-32(20-24-36)33-21-26-43-40(29-33)37-15-7-9-17-42(37)49(43)35-13-5-2-6-14-35;1-2-10-26(11-3-1)29-14-9-17-33-34-24-25-37-39(42(34)45-41(29)33)35-13-4-6-18-36(35)43(37)28-22-20-27(21-23-28)30-15-8-16-32-31-12-5-7-19-38(31)44-40(30)32/h1-30H;1-25H
InChIKeyFSINAPJITCRORR-UHFFFAOYSA-N
XLogP26.44
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001274.65
LogP ≤ 526.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

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-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
9-(4-dibenzothiophen-4-ylphenyl)-5-(3-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 139319601
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
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
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728
N-phenyl-5-[3-(N-phenylanilino)phenyl]-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine;N,N,11-triphenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 157380480
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 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 158127290) is 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc3c2sc2c3ccc3c2c2ccccc2n3-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is FSINAPJITCRORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S.C42H25NS2/c1-3-11-31(12-4-1)34-22-27-44-41(30-34)47-45(28-25-39-38-16-8-10-18-46(38)51-48(39)47)50(44)36-23-19-32(20-24-36)33-21-26-43-40(29-33)37-15-7-9-17-42(37)49(43)35-13-5-2-6-14-35;1-2-10-26(11-3-1)29-14-9-17-33-34-24-25-37-39(42(34)45-41(29)33)35-13-4-6-18-36(35)43(37)28-22-20-27(21-23-28)30-15-8-16-32-31-12-5-7-19-38(31)44-40(30)32/h1-30H;1-25H.
What are the key properties of 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1274.65 g/mol, XLogP of 26.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 158127290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).