3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole

C52H32N2S — CID 118534088

IUPAC3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc(-c7cccc8c7sc7ccccc78)cc7ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C52H32N2S/c1-2-14-37(15-3-1)53-46-22-9-7-18-41(46)45-30-33(26-28-48(45)53)34-25-27-42-40-17-6-10-23-47(40)54(50(42)31-34)49-32-36(29-35-13-4-5-16-38(35)49)39-20-12-21-44-43-19-8-11-24-51(43)55-52(39)44/h1-32H
InChIKeyTZWDWVLHHOJNFX-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole

3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 118534088) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID118534088
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc(-c7cccc8c7sc7ccccc78)cc7ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C52H32N2S/c1-2-14-37(15-3-1)53-46-22-9-7-18-41(46)45-30-33(26-28-48(45)53)34-25-27-42-40-17-6-10-23-47(40)54(50(42)31-34)49-32-36(29-35-13-4-5-16-38(35)49)39-20-12-21-44-43-19-8-11-24-51(43)55-52(39)44/h1-32H
InChIKeyTZWDWVLHHOJNFX-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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Related Compounds

2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 144964121
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole (CID 118534088) is 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cc(-c7cccc8c7sc7ccccc78)cc7ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is TZWDWVLHHOJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-14-37(15-3-1)53-46-22-9-7-18-41(46)45-30-33(26-28-48(45)53)34-25-27-42-40-17-6-10-23-47(40)54(50(42)31-34)49-32-36(29-35-13-4-5-16-38(35)49)39-20-12-21-44-43-19-8-11-24-51(43)55-52(39)44/h1-32H.
What are the key properties of 3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole 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-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118534088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).