7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine

C56H62F3N3O — CID 71053995

IUPAC7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine
SMILESCCCCC(C)N(c1ccc(C(F)(F)F)cc1)c1ccc2c3ccc(C(C)(C)C(CC)(CC)N(c4ccccc4)c4ccc5oc6ccc(C(C)CC)cc6c5c4)cc3n(C)c2c1
InChIInChI=1S/C56H62F3N3O/c1-10-14-18-38(6)61(42-25-22-40(23-26-42)56(57,58)59)44-27-30-47-46-29-24-41(34-50(46)60(9)51(47)36-44)54(7,8)55(12-3,13-4)62(43-19-16-15-17-20-43)45-28-32-53-49(35-45)48-33-39(37(5)11-2)21-31-52(48)63-53/h15-17,19-38H,10-14,18H2,1-9H3
InChIKeyNCPPSDUYWQMXQW-UHFFFAOYSA-N
MW850.13 g/mol
LogP17.15
Rot. Bonds15

About 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine

7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine (PubChem CID 71053995) has the molecular formula C56H62F3N3O and a molecular weight of 850.13 g/mol. Its IUPAC name is 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine
PubChem CID71053995
Molecular FormulaC56H62F3N3O
Molecular Weight850.13 g/mol
Exact Mass849.48
IUPAC Name7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine
SMILESCCCCC(C)N(c1ccc(C(F)(F)F)cc1)c1ccc2c3ccc(C(C)(C)C(CC)(CC)N(c4ccccc4)c4ccc5oc6ccc(C(C)CC)cc6c5c4)cc3n(C)c2c1
InChIInChI=1S/C56H62F3N3O/c1-10-14-18-38(6)61(42-25-22-40(23-26-42)56(57,58)59)44-27-30-47-46-29-24-41(34-50(46)60(9)51(47)36-44)54(7,8)55(12-3,13-4)62(43-19-16-15-17-20-43)45-28-32-53-49(35-45)48-33-39(37(5)11-2)21-31-52(48)63-53/h15-17,19-38H,10-14,18H2,1-9H3
InChIKeyNCPPSDUYWQMXQW-UHFFFAOYSA-N
XLogP17.15
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.13
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine?
The IUPAC name of 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine (CID 71053995) is 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine.
What is the SMILES notation for 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine?
The canonical SMILES for 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine is CCCCC(C)N(c1ccc(C(F)(F)F)cc1)c1ccc2c3ccc(C(C)(C)C(CC)(CC)N(c4ccccc4)c4ccc5oc6ccc(C(C)CC)cc6c5c4)cc3n(C)c2c1.
What is the InChIKey of 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine?
The InChIKey is NCPPSDUYWQMXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H62F3N3O/c1-10-14-18-38(6)61(42-25-22-40(23-26-42)56(57,58)59)44-27-30-47-46-29-24-41(34-50(46)60(9)51(47)36-44)54(7,8)55(12-3,13-4)62(43-19-16-15-17-20-43)45-28-32-53-49(35-45)48-33-39(37(5)11-2)21-31-52(48)63-53/h15-17,19-38H,10-14,18H2,1-9H3.
What are the key properties of 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine?
7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine has a molecular weight of 850.13 g/mol, XLogP of 17.15, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(N-(8-butan-2-yldibenzofuran-2-yl)anilino)-3-ethyl-2-methylpentan-2-yl]-N-hexan-2-yl-9-methyl-N-[4-(trifluoromethyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 71053995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).