9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole

C69H66N2O2 — CID 58587174

IUPAC9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESC=Cn1c2ccccc2c2ccc(-c3ccc4c(c3)C3(c5cc(OCC(CC)CCCC)ccc5-4)c4cc(OCC(CC)CCCC)ccc4-c4ccc(-c5ccc6c7ccccc7n(C=C)c6c5)cc43)cc21
InChIInChI=1S/C69H66N2O2/c1-7-13-19-45(9-3)43-72-51-29-35-55-53-31-25-47(49-27-33-59-57-21-15-17-23-65(57)70(11-5)67(59)39-49)37-61(53)69(63(55)41-51)62-38-48(50-28-34-60-58-22-16-18-24-66(58)71(12-6)68(60)40-50)26-32-54(62)56-36-30-52(42-64(56)69)73-44-46(10-4)20-14-8-2/h11-12,15-18,21-42,45-46H,5-10,13-14,19-20,43-44H2,1-4H3
InChIKeyIQFXSJUVOWERET-UHFFFAOYSA-N
MW955.30 g/mol
LogP18.97
Rot. Bonds18

About 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole

9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 58587174) has the molecular formula C69H66N2O2 and a molecular weight of 955.30 g/mol. Its IUPAC name is 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole.

Molecular Properties

Compound Name9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole
PubChem CID58587174
Molecular FormulaC69H66N2O2
Molecular Weight955.30 g/mol
Exact Mass954.51
IUPAC Name9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESC=Cn1c2ccccc2c2ccc(-c3ccc4c(c3)C3(c5cc(OCC(CC)CCCC)ccc5-4)c4cc(OCC(CC)CCCC)ccc4-c4ccc(-c5ccc6c7ccccc7n(C=C)c6c5)cc43)cc21
InChIInChI=1S/C69H66N2O2/c1-7-13-19-45(9-3)43-72-51-29-35-55-53-31-25-47(49-27-33-59-57-21-15-17-23-65(57)70(11-5)67(59)39-49)37-61(53)69(63(55)41-51)62-38-48(50-28-34-60-58-22-16-18-24-66(58)71(12-6)68(60)40-50)26-32-54(62)56-36-30-52(42-64(56)69)73-44-46(10-4)20-14-8-2/h11-12,15-18,21-42,45-46H,5-10,13-14,19-20,43-44H2,1-4H3
InChIKeyIQFXSJUVOWERET-UHFFFAOYSA-N
XLogP18.97
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.30
LogP ≤ 518.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The IUPAC name of 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole (CID 58587174) is 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole.
What is the SMILES notation for 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The canonical SMILES for 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole is C=Cn1c2ccccc2c2ccc(-c3ccc4c(c3)C3(c5cc(OCC(CC)CCCC)ccc5-4)c4cc(OCC(CC)CCCC)ccc4-c4ccc(-c5ccc6c7ccccc7n(C=C)c6c5)cc43)cc21.
What is the InChIKey of 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The InChIKey is IQFXSJUVOWERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H66N2O2/c1-7-13-19-45(9-3)43-72-51-29-35-55-53-31-25-47(49-27-33-59-57-21-15-17-23-65(57)70(11-5)67(59)39-49)37-61(53)69(63(55)41-51)62-38-48(50-28-34-60-58-22-16-18-24-66(58)71(12-6)68(60)40-50)26-32-54(62)56-36-30-52(42-64(56)69)73-44-46(10-4)20-14-8-2/h11-12,15-18,21-42,45-46H,5-10,13-14,19-20,43-44H2,1-4H3.
What are the key properties of 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole?
9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole has a molecular weight of 955.30 g/mol, XLogP of 18.97, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-2-[2'-(9-ethenylcarbazol-2-yl)-7,7'-bis(2-ethylhexoxy)-9,9'-spirobi[fluorene]-2-yl]carbazole is sourced from PubChem (CID 58587174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).