4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]

C52H44 — CID 143306928

IUPAC4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]
SMILESCCC(CC)(c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)cc3)ccc1-2)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C52H44/c1-6-51(7-2,36-28-30-40-39-29-27-35(34-25-23-33(3)24-26-34)31-47(39)50(4,5)48(40)32-36)45-21-14-22-46-49(45)41-17-10-13-20-44(41)52(46)42-18-11-8-15-37(42)38-16-9-12-19-43(38)52/h8-32H,6-7H2,1-5H3
InChIKeyKEAWOERSXKWRRF-UHFFFAOYSA-N
MW668.92 g/mol
LogP13.42
Rot. Bonds5

About 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]

4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene] (PubChem CID 143306928) has the molecular formula C52H44 and a molecular weight of 668.92 g/mol. Its IUPAC name is 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]
PubChem CID143306928
Molecular FormulaC52H44
Molecular Weight668.92 g/mol
Exact Mass668.34
IUPAC Name4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]
SMILESCCC(CC)(c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)cc3)ccc1-2)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C52H44/c1-6-51(7-2,36-28-30-40-39-29-27-35(34-25-23-33(3)24-26-34)31-47(39)50(4,5)48(40)32-36)45-21-14-22-46-49(45)41-17-10-13-20-44(41)52(46)42-18-11-8-15-37(42)38-16-9-12-19-43(38)52/h8-32H,6-7H2,1-5H3
InChIKeyKEAWOERSXKWRRF-UHFFFAOYSA-N
XLogP13.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.92
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene] with MolForge

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Related Compounds

9,9-dimethyl-2-(4-methylphenyl)-7-(2-phenylbutan-2-yl)fluorene
CID 143306948
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
1-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene]
CID 165098944
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
3-[4-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
CID 140720702
CID 140720702
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
4'-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 140873469
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]?
The IUPAC name of 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene] (CID 143306928) is 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene] is CCC(CC)(c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(C)cc3)ccc1-2)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]?
The InChIKey is KEAWOERSXKWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44/c1-6-51(7-2,36-28-30-40-39-29-27-35(34-25-23-33(3)24-26-34)31-47(39)50(4,5)48(40)32-36)45-21-14-22-46-49(45)41-17-10-13-20-44(41)52(46)42-18-11-8-15-37(42)38-16-9-12-19-43(38)52/h8-32H,6-7H2,1-5H3.
What are the key properties of 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene]?
4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene] has a molecular weight of 668.92 g/mol, XLogP of 13.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9,9-dimethyl-7-(4-methylphenyl)fluoren-2-yl]pentan-3-yl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 143306928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).