N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine

C61H51N — CID 123714942

IUPACN-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCc1cc(N(c2ccc(-c3ccc4c(c3)C3=CC=CCC3C4(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)ccc1C1=CC=CC(C)C1C
InChIInChI=1S/C61H51N/c1-38-15-14-20-47(40(38)3)46-32-30-44(35-39(46)2)62(43-28-25-41(26-29-43)42-27-34-55-53(36-42)51-19-6-10-21-54(51)60(55,4)5)45-31-33-52-50-18-9-13-24-58(50)61(59(52)37-45)56-22-11-7-16-48(56)49-17-8-12-23-57(49)61/h6-20,22-38,40,54H,21H2,1-5H3
InChIKeyYYQQUSDZGHEZII-UHFFFAOYSA-N
MW798.09 g/mol
LogP15.95
Rot. Bonds5

About N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine

N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 123714942) has the molecular formula C61H51N and a molecular weight of 798.09 g/mol. Its IUPAC name is N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID123714942
Molecular FormulaC61H51N
Molecular Weight798.09 g/mol
Exact Mass797.40
IUPAC NameN-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESCc1cc(N(c2ccc(-c3ccc4c(c3)C3=CC=CCC3C4(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)ccc1C1=CC=CC(C)C1C
InChIInChI=1S/C61H51N/c1-38-15-14-20-47(40(38)3)46-32-30-44(35-39(46)2)62(43-28-25-41(26-29-43)42-27-34-55-53(36-42)51-19-6-10-21-54(51)60(55,4)5)45-31-33-52-50-18-9-13-24-58(50)61(59(52)37-45)56-22-11-7-16-48(56)49-17-8-12-23-57(49)61/h6-20,22-38,40,54H,21H2,1-5H3
InChIKeyYYQQUSDZGHEZII-UHFFFAOYSA-N
XLogP15.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.09
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 170243434
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025124
ethane;3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025123
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethyl-6,8-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-8,8a-dihydrofluoren-2-amine
CID 156827268
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
CID 171735958
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine (CID 123714942) is N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine is Cc1cc(N(c2ccc(-c3ccc4c(c3)C3=CC=CCC3C4(C)C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)ccc1C1=CC=CC(C)C1C.
What is the InChIKey of N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is YYQQUSDZGHEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H51N/c1-38-15-14-20-47(40(38)3)46-32-30-44(35-39(46)2)62(43-28-25-41(26-29-43)42-27-34-55-53(36-42)51-19-6-10-21-54(51)60(55,4)5)45-31-33-52-50-18-9-13-24-58(50)61(59(52)37-45)56-22-11-7-16-48(56)49-17-8-12-23-57(49)61/h6-20,22-38,40,54H,21H2,1-5H3.
What are the key properties of N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine?
N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 798.09 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethyl-8,8a-dihydrofluoren-3-yl)phenyl]-N-[4-(5,6-dimethylcyclohexa-1,3-dien-1-yl)-3-methylphenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 123714942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).