9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine

C60H49N — CID 134321233

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5CCc4ccccc4)c(-c4ccccc4)c3)cc21
InChIInChI=1S/C60H49N/c1-60(2)58-25-15-14-24-54(58)55-37-33-48(40-59(55)60)61(46-30-27-43(28-31-46)42-18-8-4-9-19-42)47-32-36-49(56(39-47)44-20-10-5-11-21-44)45-29-35-53-52(34-26-41-16-6-3-7-17-41)50-22-12-13-23-51(50)57(53)38-45/h3-13,15-23,25,27-33,35-40,52H,14,24,26,34H2,1-2H3
InChIKeyJWOZWCVUOBEXMU-UHFFFAOYSA-N
MW784.06 g/mol
LogP16.30
Rot. Bonds9

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine (PubChem CID 134321233) has the molecular formula C60H49N and a molecular weight of 784.06 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
PubChem CID134321233
Molecular FormulaC60H49N
Molecular Weight784.06 g/mol
Exact Mass783.39
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5CCc4ccccc4)c(-c4ccccc4)c3)cc21
InChIInChI=1S/C60H49N/c1-60(2)58-25-15-14-24-54(58)55-37-33-48(40-59(55)60)61(46-30-27-43(28-31-46)42-18-8-4-9-19-42)47-32-36-49(56(39-47)44-20-10-5-11-21-44)45-29-35-53-52(34-26-41-16-6-3-7-17-41)50-22-12-13-23-51(50)57(53)38-45/h3-13,15-23,25,27-33,35-40,52H,14,24,26,34H2,1-2H3
InChIKeyJWOZWCVUOBEXMU-UHFFFAOYSA-N
XLogP16.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-dimethyl-5,6-dihydrofluoren-2-yl)-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-6,7-dihydrodibenzothiophen-3-amine;ethane
CID 142406196
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
N-[4-[4-[cyclohexa-1,5-dien-1-yl-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)amino]phenyl]phenyl]-8,8,14-trimethyl-N-phenyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,10-tetraen-5-amine
CID 144734094
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
9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 170445127
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
9,9-dimethyl-N-[4-[9-(4-methylphenyl)-6-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-5,6-dihydrofluoren-2-amine
CID 166997870
N-[4-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]-2-phenyl-N-(4-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-ylphenyl)aniline
CID 174306376
5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142604920
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine (CID 134321233) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine is CC1(C)C2=C(CCC=C2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5CCc4ccccc4)c(-c4ccccc4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine?
The InChIKey is JWOZWCVUOBEXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N/c1-60(2)58-25-15-14-24-54(58)55-37-33-48(40-59(55)60)61(46-30-27-43(28-31-46)42-18-8-4-9-19-42)47-32-36-49(56(39-47)44-20-10-5-11-21-44)45-29-35-53-52(34-26-41-16-6-3-7-17-41)50-22-12-13-23-51(50)57(53)38-45/h3-13,15-23,25,27-33,35-40,52H,14,24,26,34H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine has a molecular weight of 784.06 g/mol, XLogP of 16.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 134321233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).