3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

C46H35NO — CID 164810057

IUPAC3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NO/c1-4-13-40-34(8-1)35-18-17-32(26-41(35)46(40)30-21-27-20-28(23-30)24-31(46)22-27)47-42-14-5-2-9-36(42)39-25-29(16-19-43(39)47)33-11-7-12-38-37-10-3-6-15-44(37)48-45(33)38/h1-19,25-28,30-31H,20-24H2
InChIKeyYMFBYMUPNHABQW-UHFFFAOYSA-N
MW617.79 g/mol
LogP12.07
Rot. Bonds2

About 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (PubChem CID 164810057) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
PubChem CID164810057
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC Name3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NO/c1-4-13-40-34(8-1)35-18-17-32(26-41(35)46(40)30-21-27-20-28(23-30)24-31(46)22-27)47-42-14-5-2-9-36(42)39-25-29(16-19-43(39)47)33-11-7-12-38-37-10-3-6-15-44(37)48-45(33)38/h1-19,25-28,30-31H,20-24H2
InChIKeyYMFBYMUPNHABQW-UHFFFAOYSA-N
XLogP12.07
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.79
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;bis(2-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole);3-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165104436
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573768
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165034164
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809970
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
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;1-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;1-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 165073836
2-[3-(9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[2,3-d]pyrimidine;2-[3-(9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
CID 164958258
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165110729

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (CID 164810057) is 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The InChIKey is YMFBYMUPNHABQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-4-13-40-34(8-1)35-18-17-32(26-41(35)46(40)30-21-27-20-28(23-30)24-31(46)22-27)47-42-14-5-2-9-36(42)39-25-29(16-19-43(39)47)33-11-7-12-38-37-10-3-6-15-44(37)48-45(33)38/h1-19,25-28,30-31H,20-24H2.
What are the key properties of 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole has a molecular weight of 617.79 g/mol, XLogP of 12.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is sourced from PubChem (CID 164810057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).