2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole

C56H41NS — CID 164810146

IUPAC2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C56H41NS/c1-2-11-44-41(9-1)40(37-19-20-43-42-10-3-6-14-49(42)56(50(43)30-37)38-26-33-25-34(28-38)29-39(56)27-33)23-24-52(44)57-51-15-7-4-12-45(51)46-21-17-35(31-53(46)57)36-18-22-48-47-13-5-8-16-54(47)58-55(48)32-36/h1-24,30-34,38-39H,25-29H2
InChIKeyZUYRTVUPUMDGKD-UHFFFAOYSA-N
MW760.02 g/mol
LogP15.36
Rot. Bonds3

About 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole

2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole (PubChem CID 164810146) has the molecular formula C56H41NS and a molecular weight of 760.02 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole
PubChem CID164810146
Molecular FormulaC56H41NS
Molecular Weight760.02 g/mol
Exact Mass759.30
IUPAC Name2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C56H41NS/c1-2-11-44-41(9-1)40(37-19-20-43-42-10-3-6-14-49(42)56(50(43)30-37)38-26-33-25-34(28-38)29-39(56)27-33)23-24-52(44)57-51-15-7-4-12-45(51)46-21-17-35(31-53(46)57)36-18-22-48-47-13-5-8-16-54(47)58-55(48)32-36/h1-24,30-34,38-39H,25-29H2
InChIKeyZUYRTVUPUMDGKD-UHFFFAOYSA-N
XLogP15.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.02
LogP ≤ 515.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
CID 164810223
2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
2-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164819295
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
2-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene;3-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164970031
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
5,11-bis(4-dibenzothiophen-3-ylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 170393963
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 165008355
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217
2-(9-naphthalen-1-ylcarbazol-2-yl)-9-(6-spiro[adamantane-2,9'-fluorene]-2'-ylphenanthren-3-yl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-(7-spiro[adamantane-2,9'-fluorene]-2'-ylphenanthren-2-yl)carbazole
CID 165074114

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole?
The IUPAC name of 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole (CID 164810146) is 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole.
What is the SMILES notation for 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole?
The canonical SMILES for 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole is c1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)sc6ccccc67)cc54)c4ccccc34)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole?
The InChIKey is ZUYRTVUPUMDGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NS/c1-2-11-44-41(9-1)40(37-19-20-43-42-10-3-6-14-49(42)56(50(43)30-37)38-26-33-25-34(28-38)29-39(56)27-33)23-24-52(44)57-51-15-7-4-12-45(51)46-21-17-35(31-53(46)57)36-18-22-48-47-13-5-8-16-54(47)58-55(48)32-36/h1-24,30-34,38-39H,25-29H2.
What are the key properties of 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole?
2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole has a molecular weight of 760.02 g/mol, XLogP of 15.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole is sourced from PubChem (CID 164810146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).