2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]

C52H36 — CID 145077269

IUPAC2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C2Cc1ccc(-c2ccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C52H36/c1-3-13-41-39(11-1)40-12-2-4-14-42(40)47(41)32-35-23-28-38(29-24-35)37-26-21-34(22-27-37)31-36-25-30-46-45-17-7-10-20-50(45)52(51(46)33-36)48-18-8-5-15-43(48)44-16-6-9-19-49(44)52/h1-30,33,47H,31-32H2
InChIKeyDDINZIPMMOUSLT-UHFFFAOYSA-N
MW660.86 g/mol
LogP12.64
Rot. Bonds5

About 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]

2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene] (PubChem CID 145077269) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]
PubChem CID145077269
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C2Cc1ccc(-c2ccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C52H36/c1-3-13-41-39(11-1)40-12-2-4-14-42(40)47(41)32-35-23-28-38(29-24-35)37-26-21-34(22-27-37)31-36-25-30-46-45-17-7-10-20-50(45)52(51(46)33-36)48-18-8-5-15-43(48)44-16-6-9-19-49(44)52/h1-30,33,47H,31-32H2
InChIKeyDDINZIPMMOUSLT-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2'-benzylspiro[fluorene-9,9'-xanthene]
CID 155763670
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 156896675
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
4'-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 147357174
2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150876
2-[2-(9-benzyl-10-methyl-9,10-dihydrophenanthren-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 123470355
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene] (CID 145077269) is 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C2Cc1ccc(-c2ccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]?
The InChIKey is DDINZIPMMOUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-3-13-41-39(11-1)40-12-2-4-14-42(40)47(41)32-35-23-28-38(29-24-35)37-26-21-34(22-27-37)31-36-25-30-46-45-17-7-10-20-50(45)52(51(46)33-36)48-18-8-5-15-43(48)44-16-6-9-19-49(44)52/h1-30,33,47H,31-32H2.
What are the key properties of 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]?
2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene] has a molecular weight of 660.86 g/mol, XLogP of 12.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145077269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).