4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine

C28H31N5O — CID 145393075

IUPAC4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine
SMILESCCn1c2ccccc2c2cc(N3NNC=C3c3ccc(CCN4CCOCC4)cc3)ccc21
InChIInChI=1S/C28H31N5O/c1-2-32-26-6-4-3-5-24(26)25-19-23(11-12-27(25)32)33-28(20-29-30-33)22-9-7-21(8-10-22)13-14-31-15-17-34-18-16-31/h3-12,19-20,29-30H,2,13-18H2,1H3
InChIKeyHQESPSKWBXVCNR-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.52
Rot. Bonds6

About 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine

4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine (PubChem CID 145393075) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine
PubChem CID145393075
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine
SMILESCCn1c2ccccc2c2cc(N3NNC=C3c3ccc(CCN4CCOCC4)cc3)ccc21
InChIInChI=1S/C28H31N5O/c1-2-32-26-6-4-3-5-24(26)25-19-23(11-12-27(25)32)33-28(20-29-30-33)22-9-7-21(8-10-22)13-14-31-15-17-34-18-16-31/h3-12,19-20,29-30H,2,13-18H2,1H3
InChIKeyHQESPSKWBXVCNR-UHFFFAOYSA-N
XLogP4.52
TPSA44.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-ethyl-3-(4-thiophen-2-yl-1,2-dihydrotriazol-3-yl)carbazole
CID 145393053
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
1'-[2-(9-ethylcarbazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]
CID 57403720
9-ethyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]carbazole
CID 2845430
N-[(9-ethylcarbazol-3-yl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 42701340
3-[4-(2-morpholin-4-ylethyl)phenyl]phenol
CID 70092617
methane;4-(2-phenylethyl)morpholine
CID 143698819
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
(9-ethylcarbazol-3-yl)-dimorpholin-4-yl-sulfanylidene-λ5-phosphane
CID 3581699
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine (CID 145393075) is 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine is CCn1c2ccccc2c2cc(N3NNC=C3c3ccc(CCN4CCOCC4)cc3)ccc21.
What is the InChIKey of 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine?
The InChIKey is HQESPSKWBXVCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-2-32-26-6-4-3-5-24(26)25-19-23(11-12-27(25)32)33-28(20-29-30-33)22-9-7-21(8-10-22)13-14-31-15-17-34-18-16-31/h3-12,19-20,29-30H,2,13-18H2,1H3.
What are the key properties of 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine?
4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine has a molecular weight of 453.59 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(9-ethylcarbazol-3-yl)-1,2-dihydrotriazol-4-yl]phenyl]ethyl]morpholine is sourced from PubChem (CID 145393075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).