N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine

C32H38BNO3 — CID 169083278

IUPACN-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine
SMILESCC1(C)CCC(C)(C)c2cc(Nc3cc4oc5ccccc5c4cc3B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C32H38BNO3/c1-29(2)15-16-30(3,4)24-17-20(13-14-23(24)29)34-26-19-28-22(21-11-9-10-12-27(21)35-28)18-25(26)33-36-31(5,6)32(7,8)37-33/h9-14,17-19,34H,15-16H2,1-8H3
InChIKeyNEIYOGZMZJVECK-UHFFFAOYSA-N
MW495.47 g/mol
LogP7.98
Rot. Bonds3

About N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine

N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine (PubChem CID 169083278) has the molecular formula C32H38BNO3 and a molecular weight of 495.47 g/mol. Its IUPAC name is N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine
PubChem CID169083278
Molecular FormulaC32H38BNO3
Molecular Weight495.47 g/mol
Exact Mass495.29
IUPAC NameN-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine
SMILESCC1(C)CCC(C)(C)c2cc(Nc3cc4oc5ccccc5c4cc3B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C32H38BNO3/c1-29(2)15-16-30(3,4)24-17-20(13-14-23(24)29)34-26-19-28-22(21-11-9-10-12-27(21)35-28)18-25(26)33-36-31(5,6)32(7,8)37-33/h9-14,17-19,34H,15-16H2,1-8H3
InChIKeyNEIYOGZMZJVECK-UHFFFAOYSA-N
XLogP7.98
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.47
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine with MolForge

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Related Compounds

5,5,8,8-tetramethyl-N-naphthalen-1-yl-6,7-dihydronaphthalen-2-amine
CID 170774428
2-([1]benzofuro[6,5-b][1]benzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176745218
N-(4-tert-butylphenyl)-6,6,9,9,11,11-hexamethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydrobenzo[b]fluoren-2-amine
CID 169180076
CID 174018386
CID 174018386
CID 174014523
CID 174014523
3,5,5,8,8-pentamethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydronaphthalen-2-amine
CID 155595920
hydroxy-[2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]phenyl]azanium
CID 142949513
5,5,8,8-tetramethyl-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 174330207
4,4,5,5-tetramethyl-2-naphtho[2,3-b][1]benzofuran-9-yl-1,3,2-dioxaborolane
CID 140853408
4,4,5,5-tetramethyl-2-naphtho[3,2-b][1]benzofuran-8-yl-1,3,2-dioxaborolane
CID 131744275
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
CID 174077741
CID 174077741

Frequently Asked Questions

What is the IUPAC name of N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine (CID 169083278) is N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine is CC1(C)CCC(C)(C)c2cc(Nc3cc4oc5ccccc5c4cc3B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine?
The InChIKey is NEIYOGZMZJVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38BNO3/c1-29(2)15-16-30(3,4)24-17-20(13-14-23(24)29)34-26-19-28-22(21-11-9-10-12-27(21)35-28)18-25(26)33-36-31(5,6)32(7,8)37-33/h9-14,17-19,34H,15-16H2,1-8H3.
What are the key properties of N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine?
N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine has a molecular weight of 495.47 g/mol, XLogP of 7.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 169083278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).