N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine

C61H49N — CID 126548607

IUPACN-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C61H49N/c1-59(2)52-26-14-11-22-47(52)49-36-34-44(38-56(49)59)62(45-35-37-50-48-23-12-15-27-53(48)60(3,4)57(50)39-45)43-32-30-40(31-33-43)46-25-17-29-55-58(46)51-24-13-16-28-54(51)61(55,41-18-7-5-8-19-41)42-20-9-6-10-21-42/h5-11,13-22,24-39H,12,23H2,1-4H3
InChIKeyBDDSTAWGZQAUFJ-UHFFFAOYSA-N
MW796.07 g/mol
LogP15.89
Rot. Bonds6

About N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 126548607) has the molecular formula C61H49N and a molecular weight of 796.07 g/mol. Its IUPAC name is N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID126548607
Molecular FormulaC61H49N
Molecular Weight796.07 g/mol
Exact Mass795.39
IUPAC NameN-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C61H49N/c1-59(2)52-26-14-11-22-47(52)49-36-34-44(38-56(49)59)62(45-35-37-50-48-23-12-15-27-53(48)60(3,4)57(50)39-45)43-32-30-40(31-33-43)46-25-17-29-55-58(46)51-24-13-16-28-54(51)61(55,41-18-7-5-8-19-41)42-20-9-6-10-21-42/h5-11,13-22,24-39H,12,23H2,1-4H3
InChIKeyBDDSTAWGZQAUFJ-UHFFFAOYSA-N
XLogP15.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.07
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167218680
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167219072
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 155114067
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 126548607) is N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is BDDSTAWGZQAUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H49N/c1-59(2)52-26-14-11-22-47(52)49-36-34-44(38-56(49)59)62(45-35-37-50-48-23-12-15-27-53(48)60(3,4)57(50)39-45)43-32-30-40(31-33-43)46-25-17-29-55-58(46)51-24-13-16-28-54(51)61(55,41-18-7-5-8-19-41)42-20-9-6-10-21-42/h5-11,13-22,24-39H,12,23H2,1-4H3.
What are the key properties of N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 796.07 g/mol, XLogP of 15.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 126548607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).