9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine

C49H57N — CID 170445127

IUPAC9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c(c3)C(C)(C)CCC5(C)C)C(C)(C)C3=C4CCC=C3)ccc21
InChIInChI=1S/C49H57N/c1-45(2)24-26-47(5,6)42-28-32(20-22-39(42)45)36-30-37-35-18-14-15-19-38(35)49(9,10)41(37)31-44(36)50(33-16-12-11-13-17-33)34-21-23-40-43(29-34)48(7,8)27-25-46(40,3)4/h11-13,15-17,19-23,28-31H,14,18,24-27H2,1-10H3
InChIKeyZPEJRJFEEYOGTI-UHFFFAOYSA-N
MW660.00 g/mol
LogP13.92
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine

9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine (PubChem CID 170445127) has the molecular formula C49H57N and a molecular weight of 660.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
PubChem CID170445127
Molecular FormulaC49H57N
Molecular Weight660.00 g/mol
Exact Mass659.45
IUPAC Name9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c(c3)C(C)(C)CCC5(C)C)C(C)(C)C3=C4CCC=C3)ccc21
InChIInChI=1S/C49H57N/c1-45(2)24-26-47(5,6)42-28-32(20-22-39(42)45)36-30-37-35-18-14-15-19-38(35)49(9,10)41(37)31-44(36)50(33-16-12-11-13-17-33)34-21-23-40-43(29-34)48(7,8)27-25-46(40,3)4/h11-13,15-17,19-23,28-31H,14,18,24-27H2,1-10H3
InChIKeyZPEJRJFEEYOGTI-UHFFFAOYSA-N
XLogP13.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.00
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445039
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445119
N,N,3'-tris(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449512
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446175
9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445739
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445450
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine
CID 170445122
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445158
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine?
The IUPAC name of 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) is 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c(c3)C(C)(C)CCC5(C)C)C(C)(C)C3=C4CCC=C3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine?
The InChIKey is ZPEJRJFEEYOGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H57N/c1-45(2)24-26-47(5,6)42-28-32(20-22-39(42)45)36-30-37-35-18-14-15-19-38(35)49(9,10)41(37)31-44(36)50(33-16-12-11-13-17-33)34-21-23-40-43(29-34)48(7,8)27-25-46(40,3)4/h11-13,15-17,19-23,28-31H,14,18,24-27H2,1-10H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine?
9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine has a molecular weight of 660.00 g/mol, XLogP of 13.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine is sourced from PubChem (CID 170445127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).