4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine

C34H51N3O2 — CID 170869574

IUPAC4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine
SMILESCCCCC(CC)Cn1c2ccc(CCCN3CCOCC3)cc2c2cc(CCCN3CCOCC3)ccc21
InChIInChI=1S/C34H51N3O2/c1-3-5-8-28(4-2)27-37-33-13-11-29(9-6-15-35-17-21-38-22-18-35)25-31(33)32-26-30(12-14-34(32)37)10-7-16-36-19-23-39-24-20-36/h11-14,25-26,28H,3-10,15-24,27H2,1-2H3
InChIKeyIQXHTHMOIJXNEZ-UHFFFAOYSA-N
MW533.80 g/mol
LogP6.54
Rot. Bonds14

About 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine

4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine (PubChem CID 170869574) has the molecular formula C34H51N3O2 and a molecular weight of 533.80 g/mol. Its IUPAC name is 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine
PubChem CID170869574
Molecular FormulaC34H51N3O2
Molecular Weight533.80 g/mol
Exact Mass533.40
IUPAC Name4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine
SMILESCCCCC(CC)Cn1c2ccc(CCCN3CCOCC3)cc2c2cc(CCCN3CCOCC3)ccc21
InChIInChI=1S/C34H51N3O2/c1-3-5-8-28(4-2)27-37-33-13-11-29(9-6-15-35-17-21-38-22-18-35)25-31(33)32-26-30(12-14-34(32)37)10-7-16-36-19-23-39-24-20-36/h11-14,25-26,28H,3-10,15-24,27H2,1-2H3
InChIKeyIQXHTHMOIJXNEZ-UHFFFAOYSA-N
XLogP6.54
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.80
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine (CID 170869574) is 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine is CCCCC(CC)Cn1c2ccc(CCCN3CCOCC3)cc2c2cc(CCCN3CCOCC3)ccc21.
What is the InChIKey of 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine?
The InChIKey is IQXHTHMOIJXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N3O2/c1-3-5-8-28(4-2)27-37-33-13-11-29(9-6-15-35-17-21-38-22-18-35)25-31(33)32-26-30(12-14-34(32)37)10-7-16-36-19-23-39-24-20-36/h11-14,25-26,28H,3-10,15-24,27H2,1-2H3.
What are the key properties of 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine?
4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine has a molecular weight of 533.80 g/mol, XLogP of 6.54, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine is sourced from PubChem (CID 170869574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).