3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole

C48H30N2S — CID 118148116

IUPAC3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H30N2S/c1-2-11-35(12-3-1)49-41-16-7-4-13-36(41)39-29-33(25-27-43(39)49)31-21-23-32(24-22-31)34-26-28-44-40(30-34)37-14-5-8-17-42(37)50(44)45-18-10-20-47-48(45)38-15-6-9-19-46(38)51-47/h1-30H
InChIKeyCALWCBXWNUDSRG-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole

3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole (PubChem CID 118148116) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
PubChem CID118148116
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H30N2S/c1-2-11-35(12-3-1)49-41-16-7-4-13-36(41)39-29-33(25-27-43(39)49)31-21-23-32(24-22-31)34-26-28-44-40(30-34)37-14-5-8-17-42(37)50(44)45-18-10-20-47-48(45)38-15-6-9-19-46(38)51-47/h1-30H
InChIKeyCALWCBXWNUDSRG-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
9-dibenzothiophen-1-yl-14-[4-(3-phenylphenyl)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 166961037
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-dibenzothiophen-1-yl-14-(3-phenylphenyl)-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 166961335
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzofuran-1-ylcarbazole;3-(3-carbazol-9-yl-5-phenylphenyl)-9-dibenzofuran-1-ylcarbazole;3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzothiophen-1-ylcarbazole
CID 159327948
3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole (CID 118148116) is 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6sc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The InChIKey is CALWCBXWNUDSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-11-35(12-3-1)49-41-16-7-4-13-36(41)39-29-33(25-27-43(39)49)31-21-23-32(24-22-31)34-26-28-44-40(30-34)37-14-5-8-17-42(37)50(44)45-18-10-20-47-48(45)38-15-6-9-19-46(38)51-47/h1-30H.
What are the key properties of 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118148116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).