9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole

C54H34N2S — CID 164756625

IUPAC9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-14-35(15-4-1)40-21-13-22-41(36-16-5-2-6-17-36)54(40)37-26-29-50-45(32-37)42-18-7-10-23-48(42)55(50)38-27-30-51-46(33-38)43-19-8-11-24-49(43)56(51)39-28-31-53-47(34-39)44-20-9-12-25-52(44)57-53/h1-34H
InChIKeyNCQPJNFNXZGEAF-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole

9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole (PubChem CID 164756625) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
PubChem CID164756625
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-14-35(15-4-1)40-21-13-22-41(36-16-5-2-6-17-36)54(40)37-26-29-50-45(32-37)42-18-7-10-23-48(42)55(50)38-27-30-51-46(33-38)43-19-8-11-24-49(43)56(51)39-28-31-53-47(34-39)44-20-9-12-25-52(44)57-53/h1-34H
InChIKeyNCQPJNFNXZGEAF-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
CID 144619443
CID 144619443
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole (CID 164756625) is 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole?
The InChIKey is NCQPJNFNXZGEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-14-35(15-4-1)40-21-13-22-41(36-16-5-2-6-17-36)54(40)37-26-29-50-45(32-37)42-18-7-10-23-48(42)55(50)38-27-30-51-46(33-38)43-19-8-11-24-49(43)56(51)39-28-31-53-47(34-39)44-20-9-12-25-52(44)57-53/h1-34H.
What are the key properties of 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole?
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole has a molecular weight of 742.95 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole is sourced from PubChem (CID 164756625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).