9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole

C51H35NO — CID 156576994

IUPAC9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc1C21C2CC3CC4CC1C342
InChIInChI=1S/C51H35NO/c1-4-12-41-36(8-1)39-25-31(18-22-42(39)51(41)47-27-32-26-33-28-48(51)50(32,33)47)35-11-7-14-44-49(35)38-10-2-5-13-43(38)52(44)34-20-16-29(17-21-34)30-19-23-46-40(24-30)37-9-3-6-15-45(37)53-46/h1-25,32-33,47-48H,26-28H2
InChIKeyBIIYVLKMJANIDY-UHFFFAOYSA-N
MW677.85 g/mol
LogP12.96
Rot. Bonds3

About 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole

9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole (PubChem CID 156576994) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole
PubChem CID156576994
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC Name9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole
SMILESc1ccc2c(c1)-c1cc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc1C21C2CC3CC4CC1C342
InChIInChI=1S/C51H35NO/c1-4-12-41-36(8-1)39-25-31(18-22-42(39)51(41)47-27-32-26-33-28-48(51)50(32,33)47)35-11-7-14-44-49(35)38-10-2-5-13-43(38)52(44)34-20-16-29(17-21-34)30-19-23-46-40(24-30)37-9-3-6-15-45(37)53-46/h1-25,32-33,47-48H,26-28H2
InChIKeyBIIYVLKMJANIDY-UHFFFAOYSA-N
XLogP12.96
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 512.96
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
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
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
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358652
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424697

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole?
The IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole (CID 156576994) is 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole.
What is the SMILES notation for 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole?
The canonical SMILES for 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole is c1ccc2c(c1)-c1cc(-c3cccc4c3c3ccccc3n4-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc1C21C2CC3CC4CC1C342.
What is the InChIKey of 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole?
The InChIKey is BIIYVLKMJANIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-4-12-41-36(8-1)39-25-31(18-22-42(39)51(41)47-27-32-26-33-28-48(51)50(32,33)47)35-11-7-14-44-49(35)38-10-2-5-13-43(38)52(44)34-20-16-29(17-21-34)30-19-23-46-40(24-30)37-9-3-6-15-45(37)53-46/h1-25,32-33,47-48H,26-28H2.
What are the key properties of 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole?
9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole has a molecular weight of 677.85 g/mol, XLogP of 12.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-2-ylphenyl)-4-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-3-ylcarbazole is sourced from PubChem (CID 156576994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).