butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])

C76H107N — CID 165034994

IUPACbutane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC.CCN.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C26H18.C4H10.C2H7N.9C2H6/c2*1-5-13-22-18(9-1)17-19-10-2-6-14-23(19)26(22)24-15-7-3-11-20(24)21-12-4-8-16-25(21)26;1-3-4-2;1-2-3;9*1-2/h2*1-16H,17H2;3-4H2,1-2H3;2-3H2,1H3;9*1-2H3
InChIKeyNGAOVITXSBBDGI-UHFFFAOYSA-N
MW1034.70 g/mol
LogP22.92
Rot. Bonds1

About butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])

butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]) (PubChem CID 165034994) has the molecular formula C76H107N and a molecular weight of 1034.70 g/mol. Its IUPAC name is butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]).

Molecular Properties

Compound Namebutane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
PubChem CID165034994
Molecular FormulaC76H107N
Molecular Weight1034.70 g/mol
Exact Mass1033.84
IUPAC Namebutane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC.CCN.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C26H18.C4H10.C2H7N.9C2H6/c2*1-5-13-22-18(9-1)17-19-10-2-6-14-23(19)26(22)24-15-7-3-11-20(24)21-12-4-8-16-25(21)26;1-3-4-2;1-2-3;9*1-2/h2*1-16H,17H2;3-4H2,1-2H3;2-3H2,1H3;9*1-2H3
InChIKeyNGAOVITXSBBDGI-UHFFFAOYSA-N
XLogP22.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.70
LogP ≤ 522.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
ethane;methane;10,10'-spirobi[9H-anthracene]
CID 157229277
ethanamine;9H-fluorene
CID 158316259
3-tert-butylspiro[9H-anthracene-10,9'-fluorene]
CID 175918743
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
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
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
CID 160791086
1'-bromospiro[9H-anthracene-10,9'-fluorene]
CID 142509759
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246

Frequently Asked Questions

What is the IUPAC name of butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])?
The IUPAC name of butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]) (CID 165034994) is butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]).
What is the SMILES notation for butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])?
The canonical SMILES for butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCC.CCN.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Cc1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])?
The InChIKey is NGAOVITXSBBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H18.C4H10.C2H7N.9C2H6/c2*1-5-13-22-18(9-1)17-19-10-2-6-14-23(19)26(22)24-15-7-3-11-20(24)21-12-4-8-16-25(21)26;1-3-4-2;1-2-3;9*1-2/h2*1-16H,17H2;3-4H2,1-2H3;2-3H2,1H3;9*1-2H3.
What are the key properties of butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene])?
butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]) has a molecular weight of 1034.70 g/mol, XLogP of 22.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethanamine;ethane;bis(spiro[9H-anthracene-10,9'-fluorene]) is sourced from PubChem (CID 165034994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).