3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole

C52H32N2S — CID 129065116

IUPAC3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7sc8ccccc8c7c6)ccc4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C52H32N2S/c1-2-12-39(13-3-1)53-47-16-8-6-14-41(47)43-29-35(19-24-48(43)53)36-20-25-49-44(30-36)45-31-37(38-22-27-52-46(32-38)42-15-7-9-17-51(42)55-52)21-26-50(45)54(49)40-23-18-33-10-4-5-11-34(33)28-40/h1-32H
InChIKeyISODMKITDXMIRM-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole

3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 129065116) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID129065116
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7sc8ccccc8c7c6)ccc4n5-c4ccc5ccccc5c4)ccc32)cc1
InChIInChI=1S/C52H32N2S/c1-2-12-39(13-3-1)53-47-16-8-6-14-41(47)43-29-35(19-24-48(43)53)36-20-25-49-44(30-36)45-31-37(38-22-27-52-46(32-38)42-15-7-9-17-51(42)55-52)21-26-50(45)54(49)40-23-18-33-10-4-5-11-34(33)28-40/h1-32H
InChIKeyISODMKITDXMIRM-UHFFFAOYSA-N
XLogP14.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole (CID 129065116) is 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7sc8ccccc8c7c6)ccc4n5-c4ccc5ccccc5c4)ccc32)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is ISODMKITDXMIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-12-39(13-3-1)53-47-16-8-6-14-41(47)43-29-35(19-24-48(43)53)36-20-25-49-44(30-36)45-31-37(38-22-27-52-46(32-38)42-15-7-9-17-51(42)55-52)21-26-50(45)54(49)40-23-18-33-10-4-5-11-34(33)28-40/h1-32H.
What are the key properties of 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole?
3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 716.91 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 129065116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).