N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane

C37H49N — CID 159657199

IUPACN,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
SMILESCC.CC.CC.CC.CCN(CC)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H25N.4C2H6/c1-3-30(4-2)27-19-11-15-23-22-14-7-10-18-26(22)29(28(23)27)24-16-8-5-12-20(24)21-13-6-9-17-25(21)29;4*1-2/h5-19H,3-4H2,1-2H3;4*1-2H3
InChIKeyMSIBOYISWFODKW-UHFFFAOYSA-N
MW507.81 g/mol
LogP10.98
Rot. Bonds3

About N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane

N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane (PubChem CID 159657199) has the molecular formula C37H49N and a molecular weight of 507.81 g/mol. Its IUPAC name is N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane.

Molecular Properties

Compound NameN,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
PubChem CID159657199
Molecular FormulaC37H49N
Molecular Weight507.81 g/mol
Exact Mass507.39
IUPAC NameN,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
SMILESCC.CC.CC.CC.CCN(CC)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H25N.4C2H6/c1-3-30(4-2)27-19-11-15-23-22-14-7-10-18-26(22)29(28(23)27)24-16-8-5-12-20(24)21-13-6-9-17-25(21)29;4*1-2/h5-19H,3-4H2,1-2H3;4*1-2H3
InChIKeyMSIBOYISWFODKW-UHFFFAOYSA-N
XLogP10.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.81
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-9,9'-spirobi[fluorene]-1-amine
CID 141429457
N,N-diethyl-9,9-diphenylfluoren-4-amine;ethane
CID 161344011
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
N-(9,9'-spirobi[fluorene]-1-yl)-N-sulfidothiohydroxylamine
CID 156896748
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
1'-[(E)-prop-1-enyl]-9,9'-spirobi[fluorene]
CID 145110832
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane?
The IUPAC name of N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane (CID 159657199) is N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane.
What is the SMILES notation for N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane?
The canonical SMILES for N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane is CC.CC.CC.CC.CCN(CC)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane?
The InChIKey is MSIBOYISWFODKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N.4C2H6/c1-3-30(4-2)27-19-11-15-23-22-14-7-10-18-26(22)29(28(23)27)24-16-8-5-12-20(24)21-13-6-9-17-25(21)29;4*1-2/h5-19H,3-4H2,1-2H3;4*1-2H3.
What are the key properties of N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane?
N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane has a molecular weight of 507.81 g/mol, XLogP of 10.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane is sourced from PubChem (CID 159657199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).