9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine

C39H40BNO2 — CID 145019600

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccccc4)cc3)CC=C2c2ccccc21
InChIInChI=1S/C39H40BNO2/c1-37(2)35-15-11-10-14-33(35)34-25-24-32(26-36(34)37)41(30-20-16-28(17-21-30)27-12-8-7-9-13-27)31-22-18-29(19-23-31)40-42-38(3,4)39(5,6)43-40/h7-23,25-26,32H,24H2,1-6H3
InChIKeyYBHOEFCNGBHLDP-UHFFFAOYSA-N
MW565.57 g/mol
LogP8.86
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine (PubChem CID 145019600) has the molecular formula C39H40BNO2 and a molecular weight of 565.57 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine
PubChem CID145019600
Molecular FormulaC39H40BNO2
Molecular Weight565.57 g/mol
Exact Mass565.32
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccccc4)cc3)CC=C2c2ccccc21
InChIInChI=1S/C39H40BNO2/c1-37(2)35-15-11-10-14-33(35)34-25-24-32(26-36(34)37)41(30-20-16-28(17-21-30)27-12-8-7-9-13-27)31-22-18-29(19-23-31)40-42-38(3,4)39(5,6)43-40/h7-23,25-26,32H,24H2,1-6H3
InChIKeyYBHOEFCNGBHLDP-UHFFFAOYSA-N
XLogP8.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.57
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 137397140
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 155114303
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
CID 166590872
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5,9,9-triphenyl-N-(2-phenylphenyl)fluoren-2-amine;ethane
CID 142604839
N-(4-methylphenyl)-N-(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 140957040
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283
9,9-dimethyl-2-N,2-N,5-N,5-N-tetraphenyl-2,3-dihydrofluorene-2,5-diamine
CID 146269900
N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 167112713
9-ethyl-9-methyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]fluoren-2-amine
CID 174022170
N-(4-phenylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 90305757
N-cyclohexyl-N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 143516798
N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-N,9-diphenylcarbazol-3-amine
CID 70886195

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine (CID 145019600) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine is CC1(C)C2=CC(N(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c3ccc(-c4ccccc4)cc3)CC=C2c2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine?
The InChIKey is YBHOEFCNGBHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40BNO2/c1-37(2)35-15-11-10-14-33(35)34-25-24-32(26-36(34)37)41(30-20-16-28(17-21-30)27-12-8-7-9-13-27)31-22-18-29(19-23-31)40-42-38(3,4)39(5,6)43-40/h7-23,25-26,32H,24H2,1-6H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine has a molecular weight of 565.57 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine is sourced from PubChem (CID 145019600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).