1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone

C66H47NO — CID 123495954

IUPAC1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone
SMILESCCc1c(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(-c3ccccc3C(C)=O)c2C)ccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C66H47NO/c1-4-48-51(35-36-62-65(48)55-25-12-16-28-61(55)66(62)59-26-14-10-22-52(59)53-23-11-15-27-60(53)66)57-40-46(39-56(41(57)2)50-21-9-8-20-49(50)42(3)68)44-32-30-43(31-33-44)45-34-37-64-58(38-45)54-24-13-17-29-63(54)67(64)47-18-6-5-7-19-47/h5-40H,4H2,1-3H3
InChIKeySAAWXBRZWSESFF-UHFFFAOYSA-N
MW870.11 g/mol
LogP16.87
Rot. Bonds7

About 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone

1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone (PubChem CID 123495954) has the molecular formula C66H47NO and a molecular weight of 870.11 g/mol. Its IUPAC name is 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone
PubChem CID123495954
Molecular FormulaC66H47NO
Molecular Weight870.11 g/mol
Exact Mass869.37
IUPAC Name1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone
SMILESCCc1c(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(-c3ccccc3C(C)=O)c2C)ccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C66H47NO/c1-4-48-51(35-36-62-65(48)55-25-12-16-28-61(55)66(62)59-26-14-10-22-52(59)53-23-11-15-27-60(53)66)57-40-46(39-56(41(57)2)50-21-9-8-20-49(50)42(3)68)44-32-30-43(31-33-44)45-34-37-64-58(38-45)54-24-13-17-29-63(54)67(64)47-18-6-5-7-19-47/h5-40H,4H2,1-3H3
InChIKeySAAWXBRZWSESFF-UHFFFAOYSA-N
XLogP16.87
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.11
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone 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 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone (CID 123495954) is 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone is CCc1c(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc(-c3ccccc3C(C)=O)c2C)ccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone?
The InChIKey is SAAWXBRZWSESFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47NO/c1-4-48-51(35-36-62-65(48)55-25-12-16-28-61(55)66(62)59-26-14-10-22-52(59)53-23-11-15-27-60(53)66)57-40-46(39-56(41(57)2)50-21-9-8-20-49(50)42(3)68)44-32-30-43(31-33-44)45-34-37-64-58(38-45)54-24-13-17-29-63(54)67(64)47-18-6-5-7-19-47/h5-40H,4H2,1-3H3.
What are the key properties of 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone?
1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone has a molecular weight of 870.11 g/mol, XLogP of 16.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-ethyl-9,9'-spirobi[fluorene]-3-yl)-2-methyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 123495954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).