1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

C46H35NO — CID 164809970

IUPAC1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4cccc(-c5cccc6oc7ccccc7c56)c43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NO/c1-4-15-39-32(9-1)33-20-19-31(26-40(33)46(39)29-22-27-21-28(24-29)25-30(46)23-27)47-41-16-5-2-10-34(41)36-13-7-14-37(45(36)47)35-12-8-18-43-44(35)38-11-3-6-17-42(38)48-43/h1-20,26-30H,21-25H2
InChIKeyGCGOEHVHCMCAGA-UHFFFAOYSA-N
MW617.79 g/mol
LogP12.07
Rot. Bonds2

About 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (PubChem CID 164809970) has the molecular formula C46H35NO and a molecular weight of 617.79 g/mol. Its IUPAC name is 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.

Molecular Properties

Compound Name1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
PubChem CID164809970
Molecular FormulaC46H35NO
Molecular Weight617.79 g/mol
Exact Mass617.27
IUPAC Name1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4cccc(-c5cccc6oc7ccccc7c56)c43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NO/c1-4-15-39-32(9-1)33-20-19-31(26-40(33)46(39)29-22-27-21-28(24-29)25-30(46)23-27)47-41-16-5-2-10-34(41)36-13-7-14-37(45(36)47)35-12-8-18-43-44(35)38-11-3-6-17-42(38)48-43/h1-20,26-30H,21-25H2
InChIKeyGCGOEHVHCMCAGA-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

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-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
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
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
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
9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
CID 156578319
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
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
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573768
2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole
CID 165043063
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
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The IUPAC name of 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (CID 164809970) is 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.
What is the SMILES notation for 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The canonical SMILES for 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4cccc(-c5cccc6oc7ccccc7c56)c43)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The InChIKey is GCGOEHVHCMCAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NO/c1-4-15-39-32(9-1)33-20-19-31(26-40(33)46(39)29-22-27-21-28(24-29)25-30(46)23-27)47-41-16-5-2-10-34(41)36-13-7-14-37(45(36)47)35-12-8-18-43-44(35)38-11-3-6-17-42(38)48-43/h1-20,26-30H,21-25H2.
What are the key properties of 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
1-dibenzofuran-1-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 1-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is sourced from PubChem (CID 164809970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).