ethane;naphthalene;9,9'-spirobi[fluorene]

C47H38 — CID 162036420

IUPACethane;naphthalene;9,9'-spirobi[fluorene]
SMILESCC.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C25H16.2C10H8.C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2/h1-16H;2*1-8H;1-2H3
InChIKeyYWSAZLIOXHZZIE-UHFFFAOYSA-N
MW602.82 g/mol
LogP12.74
Rot. Bonds

About ethane;naphthalene;9,9'-spirobi[fluorene]

ethane;naphthalene;9,9'-spirobi[fluorene] (PubChem CID 162036420) has the molecular formula C47H38 and a molecular weight of 602.82 g/mol. Its IUPAC name is ethane;naphthalene;9,9'-spirobi[fluorene].

Molecular Properties

Compound Nameethane;naphthalene;9,9'-spirobi[fluorene]
PubChem CID162036420
Molecular FormulaC47H38
Molecular Weight602.82 g/mol
Exact Mass602.30
IUPAC Nameethane;naphthalene;9,9'-spirobi[fluorene]
SMILESCC.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C25H16.2C10H8.C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2/h1-16H;2*1-8H;1-2H3
InChIKeyYWSAZLIOXHZZIE-UHFFFAOYSA-N
XLogP12.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
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CID 90717340
ethane;9-fluoro-9-methylfluorene
CID 163249751
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CID 14438476
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
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ethane;naphthalene
CID 144512894
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439

Frequently Asked Questions

What is the IUPAC name of ethane;naphthalene;9,9'-spirobi[fluorene]?
The IUPAC name of ethane;naphthalene;9,9'-spirobi[fluorene] (CID 162036420) is ethane;naphthalene;9,9'-spirobi[fluorene].
What is the SMILES notation for ethane;naphthalene;9,9'-spirobi[fluorene]?
The canonical SMILES for ethane;naphthalene;9,9'-spirobi[fluorene] is CC.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of ethane;naphthalene;9,9'-spirobi[fluorene]?
The InChIKey is YWSAZLIOXHZZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.2C10H8.C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2/h1-16H;2*1-8H;1-2H3.
What are the key properties of ethane;naphthalene;9,9'-spirobi[fluorene]?
ethane;naphthalene;9,9'-spirobi[fluorene] has a molecular weight of 602.82 g/mol, XLogP of 12.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphthalene;9,9'-spirobi[fluorene] is sourced from PubChem (CID 162036420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).