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

C52H39NS — CID 164810223

IUPAC2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H39NS/c1-4-10-46-40(7-1)41-20-15-35(29-47(41)52(46)37-24-31-23-32(26-37)27-38(52)25-31)33-13-18-39(19-14-33)53-48-11-5-2-8-42(48)43-21-16-36(30-49(43)53)34-17-22-51-45(28-34)44-9-3-6-12-50(44)54-51/h1-22,28-32,37-38H,23-27H2
InChIKeyVLBSKXZEFFCFFH-UHFFFAOYSA-N
MW709.96 g/mol
LogP14.21
Rot. Bonds3

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

2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole (PubChem CID 164810223) has the molecular formula C52H39NS and a molecular weight of 709.96 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
PubChem CID164810223
Molecular FormulaC52H39NS
Molecular Weight709.96 g/mol
Exact Mass709.28
IUPAC Name2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H39NS/c1-4-10-46-40(7-1)41-20-15-35(29-47(41)52(46)37-24-31-23-32(26-37)27-38(52)25-31)33-13-18-39(19-14-33)53-48-11-5-2-8-42(48)43-21-16-36(30-49(43)53)34-17-22-51-45(28-34)44-9-3-6-12-50(44)54-51/h1-22,28-32,37-38H,23-27H2
InChIKeyVLBSKXZEFFCFFH-UHFFFAOYSA-N
XLogP14.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.96
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole
CID 164810146
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
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-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;9-phenyl-N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-ylcarbazol-3-amine
CID 159384155
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
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
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(3-phenylphenyl)carbazol-4-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164952773

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole?
The IUPAC name of 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole (CID 164810223) is 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole.
What is the SMILES notation for 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole is c1ccc2c(c1)-c1ccc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7sc8ccccc8c7c6)cc54)cc3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole?
The InChIKey is VLBSKXZEFFCFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NS/c1-4-10-46-40(7-1)41-20-15-35(29-47(41)52(46)37-24-31-23-32(26-37)27-38(52)25-31)33-13-18-39(19-14-33)53-48-11-5-2-8-42(48)43-21-16-36(30-49(43)53)34-17-22-51-45(28-34)44-9-3-6-12-50(44)54-51/h1-22,28-32,37-38H,23-27H2.
What are the key properties of 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole?
2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole has a molecular weight of 709.96 g/mol, XLogP of 14.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole is sourced from PubChem (CID 164810223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).