2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole

C48H30N2S — CID 170386162

IUPAC2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4sc5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5c34)cc2)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-17-10-22-45-47(35)48-43(21-11-23-46(48)51-45)50-42-20-9-6-16-38(42)39-29-28-34(30-44(39)50)49-40-18-7-4-14-36(40)37-15-5-8-19-41(37)49/h1-30H
InChIKeyCOVKOVWZPLOJFH-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole

2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole (PubChem CID 170386162) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole
PubChem CID170386162
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4sc5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5c34)cc2)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-17-10-22-45-47(35)48-43(21-11-23-46(48)51-45)50-42-20-9-6-16-38(42)39-29-28-34(30-44(39)50)49-40-18-7-4-14-36(40)37-15-5-8-19-41(37)49/h1-30H
InChIKeyCOVKOVWZPLOJFH-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-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386169
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole
CID 174244757
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole (CID 170386162) is 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole is c1ccc(-c2ccc(-c3cccc4sc5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5c34)cc2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole?
The InChIKey is COVKOVWZPLOJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-24-26-33(27-25-32)35-17-10-22-45-47(35)48-43(21-11-23-46(48)51-45)50-42-20-9-6-16-38(42)39-29-28-34(30-44(39)50)49-40-18-7-4-14-36(40)37-15-5-8-19-41(37)49/h1-30H.
What are the key properties of 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole?
2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]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 2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 170386162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).