4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine

C29H34N2O — CID 10071140

IUPAC4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine
SMILESCCCC[C@H](C[C@@H](c1ccccc1)N1CCOCC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H34N2O/c1-2-3-13-24(22-29(23-11-5-4-6-12-23)30-18-20-32-21-19-30)31-27-16-9-7-14-25(27)26-15-8-10-17-28(26)31/h4-12,14-17,24,29H,2-3,13,18-22H2,1H3/t24-,29+/m1/s1
InChIKeyFLZTVEWAPPQSFB-GIGWZHCTSA-N
MW426.60 g/mol
LogP6.99
Rot. Bonds8

About 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine

4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine (PubChem CID 10071140) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine.

Molecular Properties

Compound Name4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine
PubChem CID10071140
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC Name4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine
SMILESCCCC[C@H](C[C@@H](c1ccccc1)N1CCOCC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H34N2O/c1-2-3-13-24(22-29(23-11-5-4-6-12-23)30-18-20-32-21-19-30)31-27-16-9-7-14-25(27)26-15-8-10-17-28(26)31/h4-12,14-17,24,29H,2-3,13,18-22H2,1H3/t24-,29+/m1/s1
InChIKeyFLZTVEWAPPQSFB-GIGWZHCTSA-N
XLogP6.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbazol-9-yl-1-phenylbutyl)morpholine
CID 4602727
4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
CID 39844404
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
triethoxy-(2-morpholin-4-yl-2-phenylethyl)silane
CID 68744744
5-morpholin-4-yl-5-phenylpentan-2-one
CID 67114614
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
4-(1-phenylhept-1-yn-3-yl)morpholine
CID 101430696
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
5,10-di(heptadecan-9-yl)indolo[3,2-b]indole
CID 121344575
4-hexadecan-8-ylmorpholine
CID 126489366
3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
CID 42955495
1-butyl-3-ethyl-1-methyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111158470

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine?
The IUPAC name of 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine (CID 10071140) is 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine.
What is the SMILES notation for 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine?
The canonical SMILES for 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine is CCCC[C@H](C[C@@H](c1ccccc1)N1CCOCC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine?
The InChIKey is FLZTVEWAPPQSFB-GIGWZHCTSA-N. The full InChI is InChI=1S/C29H34N2O/c1-2-3-13-24(22-29(23-11-5-4-6-12-23)30-18-20-32-21-19-30)31-27-16-9-7-14-25(27)26-15-8-10-17-28(26)31/h4-12,14-17,24,29H,2-3,13,18-22H2,1H3/t24-,29+/m1/s1.
What are the key properties of 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine?
4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine has a molecular weight of 426.60 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3R)-3-carbazol-9-yl-1-phenylheptyl]morpholine is sourced from PubChem (CID 10071140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).