N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane

C60H51N — CID 142604839

IUPACN-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
SMILESCC.CC1(C)C2=CC(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3ccccc3-c3ccccc3)CC=C2c2ccccc21
InChIInChI=1S/C58H45N.C2H6/c1-57(2)51-31-17-15-29-48(51)49-36-34-44(38-53(49)57)59(55-33-18-16-28-46(55)40-20-7-3-8-21-40)45-35-37-50-54(39-45)58(42-24-11-5-12-25-42,43-26-13-6-14-27-43)52-32-19-30-47(56(50)52)41-22-9-4-10-23-41;1-2/h3-33,35-39,44H,34H2,1-2H3;1-2H3
InChIKeyNKKSXKVSFCABMP-UHFFFAOYSA-N
MW786.08 g/mol
LogP15.62
Rot. Bonds7

About N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane

N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane (PubChem CID 142604839) has the molecular formula C60H51N and a molecular weight of 786.08 g/mol. Its IUPAC name is N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane.

Molecular Properties

Compound NameN-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
PubChem CID142604839
Molecular FormulaC60H51N
Molecular Weight786.08 g/mol
Exact Mass785.40
IUPAC NameN-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
SMILESCC.CC1(C)C2=CC(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3ccccc3-c3ccccc3)CC=C2c2ccccc21
InChIInChI=1S/C58H45N.C2H6/c1-57(2)51-31-17-15-29-48(51)49-36-34-44(38-53(49)57)59(55-33-18-16-28-46(55)40-20-7-3-8-21-40)45-35-37-50-54(39-45)58(42-24-11-5-12-25-42,43-26-13-6-14-27-43)52-32-19-30-47(56(50)52)41-22-9-4-10-23-41;1-2/h3-33,35-39,44H,34H2,1-2H3;1-2H3
InChIKeyNKKSXKVSFCABMP-UHFFFAOYSA-N
XLogP15.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.08
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane with MolForge

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Related Compounds

N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 155114303
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 126595186
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 171453410

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane?
The IUPAC name of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane (CID 142604839) is N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane.
What is the SMILES notation for N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane?
The canonical SMILES for N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane is CC.CC1(C)C2=CC(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)c3ccccc3-c3ccccc3)CC=C2c2ccccc21.
What is the InChIKey of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane?
The InChIKey is NKKSXKVSFCABMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N.C2H6/c1-57(2)51-31-17-15-29-48(51)49-36-34-44(38-53(49)57)59(55-33-18-16-28-46(55)40-20-7-3-8-21-40)45-35-37-50-54(39-45)58(42-24-11-5-12-25-42,43-26-13-6-14-27-43)52-32-19-30-47(56(50)52)41-22-9-4-10-23-41;1-2/h3-33,35-39,44H,34H2,1-2H3;1-2H3.
What are the key properties of N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane?
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane has a molecular weight of 786.08 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane is sourced from PubChem (CID 142604839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).