3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole

C48H30N2S — CID 165386154

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-34(28-32)49-42-20-7-4-16-37(42)40-29-33(24-26-44(40)49)36-19-11-22-45-48(36)39-18-5-8-21-43(39)50(45)35-25-27-47-41(30-35)38-17-6-9-23-46(38)51-47/h1-30H
InChIKeySEDSSSOAHBKSOC-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole

3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 165386154) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
PubChem CID165386154
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-34(28-32)49-42-20-7-4-16-37(42)40-29-33(24-26-44(40)49)36-19-11-22-45-48(36)39-18-5-8-21-43(39)50(45)35-25-27-47-41(30-35)38-17-6-9-23-46(38)51-47/h1-30H
InChIKeySEDSSSOAHBKSOC-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

4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161317954
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole (CID 165386154) is 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is SEDSSSOAHBKSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-34(28-32)49-42-20-7-4-16-37(42)40-29-33(24-26-44(40)49)36-19-11-22-45-48(36)39-18-5-8-21-43(39)50(45)35-25-27-47-41(30-35)38-17-6-9-23-46(38)51-47/h1-30H.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole?
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole 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-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 165386154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).