9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane

C71H95N — CID 157306926

IUPAC9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H29N.C25H18.8C2H6/c1-3-31(4-2)22-23-19-20-27-26-17-11-12-18-28(26)30(29(27)21-23,24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;8*1-2/h5-21H,3-4,22H2,1-2H3;1-18H;8*1-2H3
InChIKeyBCOYZJBEPXRMLY-UHFFFAOYSA-N
MW962.55 g/mol
LogP21.15
Rot. Bonds8

About 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane

9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane (PubChem CID 157306926) has the molecular formula C71H95N and a molecular weight of 962.55 g/mol. Its IUPAC name is 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane.

Molecular Properties

Compound Name9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
PubChem CID157306926
Molecular FormulaC71H95N
Molecular Weight962.55 g/mol
Exact Mass961.75
IUPAC Name9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H29N.C25H18.8C2H6/c1-3-31(4-2)22-23-19-20-27-26-17-11-12-18-28(26)30(29(27)21-23,24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;8*1-2/h5-21H,3-4,22H2,1-2H3;1-18H;8*1-2H3
InChIKeyBCOYZJBEPXRMLY-UHFFFAOYSA-N
XLogP21.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.55
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
N,N-bis[(9,9-dimethylfluoren-2-yl)methyl]ethanamine;N,N-bis(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;ethane
CID 157264085
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;propane
CID 158205050
9-(4-ethylphenyl)-9-phenylfluorene
CID 149284542
N-[[4'-(diethylaminomethyl)-9,9'-spirobi[fluorene]-4-yl]methyl]-N-ethylethanamine;N-[[6-(diethylaminomethyl)-9,9'-spirobi[fluorene]-3-yl]methyl]-N-ethylethanamine;ethane;N-ethyl-N-(9,9'-spirobi[fluorene]-1'-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-3-ylmethyl)ethanamine;N-ethyl-N-(9,9'-spirobi[fluorene]-4'-ylmethyl)ethanamine
CID 162017563
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
N-propan-2-yl-N-(9,9'-spirobi[fluorene]-2-ylmethyl)aniline
CID 167208801
[7-(N-(9,9-diphenylfluoren-2-yl)anilino)-9,9-diphenylfluoren-2-yl]methanol
CID 139983986
ethane;9H-fluorene;N-methyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]ethanamine
CID 160929512
bis(9,9-diphenylfluoren-2-yl)-methylidene-phenyl-λ5-phosphane
CID 158054425
N,N-bis(4-octylphenyl)-9,9-diphenylfluoren-2-amine
CID 139762426

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane?
The IUPAC name of 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane (CID 157306926) is 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane.
What is the SMILES notation for 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane?
The canonical SMILES for 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CCN(CC)Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane?
The InChIKey is BCOYZJBEPXRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N.C25H18.8C2H6/c1-3-31(4-2)22-23-19-20-27-26-17-11-12-18-28(26)30(29(27)21-23,24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;8*1-2/h5-21H,3-4,22H2,1-2H3;1-18H;8*1-2H3.
What are the key properties of 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane?
9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane has a molecular weight of 962.55 g/mol, XLogP of 21.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenylfluorene;N-[(9,9-diphenylfluoren-2-yl)methyl]-N-ethylethanamine;ethane is sourced from PubChem (CID 157306926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).