N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine

C26H29NO — CID 162698599

IUPACN-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc(N(c2cccc3c2oc2ccccc23)C(C)(C)C)cc1
InChIInChI=1S/C26H29NO/c1-25(2,3)18-14-16-19(17-15-18)27(26(4,5)6)22-12-9-11-21-20-10-7-8-13-23(20)28-24(21)22/h7-17H,1-6H3
InChIKeyLTSKCVAUZWPNMV-UHFFFAOYSA-N
MW371.52 g/mol
LogP7.82
Rot. Bonds2

About N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine

N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine (PubChem CID 162698599) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine
PubChem CID162698599
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC NameN-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc(N(c2cccc3c2oc2ccccc23)C(C)(C)C)cc1
InChIInChI=1S/C26H29NO/c1-25(2,3)18-14-16-19(17-15-18)27(26(4,5)6)22-12-9-11-21-20-10-7-8-13-23(20)28-24(21)22/h7-17H,1-6H3
InChIKeyLTSKCVAUZWPNMV-UHFFFAOYSA-N
XLogP7.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-phenyldibenzofuran-4-amine;N-(4-tert-butylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline;N-(4-tert-butylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-tert-butylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159249446
6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
N-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 122413267
12-N,22-N-bis(4-tert-butylphenyl)-12-N,22-N-di(dibenzofuran-4-yl)-4,16,30-trioxaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.023,31.024,29]hentriaconta-1(31),2,5,7,9,11,13,15(19),17,20,22,24,26,28-tetradecaene-12,22-diamine
CID 163892930
7-N,17-N-bis(4-tert-butylphenyl)-7-N,17-N-di(dibenzofuran-4-yl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 90140184
N-[17-(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032684
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
CID 163536549
8-N,18-N-bis(4-tert-butylphenyl)-8-N,18-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-8,18-diamine
CID 146666166
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163583264
N-tert-butyl-3,4-dimethyl-N-phenylaniline;N-tert-butyl-N-(3,4-dimethylphenyl)-3,4-dimethylaniline;N-tert-butyl-3-methyl-N-(3-methylphenyl)aniline;N-tert-butyl-N-(3-methylphenyl)naphthalen-2-amine;N-tert-butyl-3-methyl-N-(4-phenylphenyl)aniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;N-tert-butyl-N-phenylnaphthalen-1-amine;N-tert-butyl-N-phenylnaphthalen-2-amine;N-tert-butyl-N-(4-propan-2-ylphenyl)dibenzofuran-4-amine;N-tert-butyl-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 158399119

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine (CID 162698599) is N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine is CC(C)(C)c1ccc(N(c2cccc3c2oc2ccccc23)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine?
The InChIKey is LTSKCVAUZWPNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-25(2,3)18-14-16-19(17-15-18)27(26(4,5)6)22-12-9-11-21-20-10-7-8-13-23(20)28-24(21)22/h7-17H,1-6H3.
What are the key properties of N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine?
N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine has a molecular weight of 371.52 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 162698599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).