4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine

C35H30F6N2O3 — CID 15509210

IUPAC4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
SMILESFC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1C(F)(F)F
InChIInChI=1S/C35H30F6N2O3/c36-34(37,38)29-10-7-24(21-30(29)35(39,40)41)33(23-5-8-25(9-6-23)42-13-17-44-18-14-42)12-11-28-26-3-1-2-4-27(26)31(22-32(28)46-33)43-15-19-45-20-16-43/h1-12,21-22H,13-20H2
InChIKeyHVBJNCLBCJVIJC-UHFFFAOYSA-N
MW640.62 g/mol
LogP7.90
Rot. Bonds4

About 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine

4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (PubChem CID 15509210) has the molecular formula C35H30F6N2O3 and a molecular weight of 640.62 g/mol. Its IUPAC name is 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
PubChem CID15509210
Molecular FormulaC35H30F6N2O3
Molecular Weight640.62 g/mol
Exact Mass640.22
IUPAC Name4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
SMILESFC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1C(F)(F)F
InChIInChI=1S/C35H30F6N2O3/c36-34(37,38)29-10-7-24(21-30(29)35(39,40)41)33(23-5-8-25(9-6-23)42-13-17-44-18-14-42)12-11-28-26-3-1-2-4-27(26)31(22-32(28)46-33)43-15-19-45-20-16-43/h1-12,21-22H,13-20H2
InChIKeyHVBJNCLBCJVIJC-UHFFFAOYSA-N
XLogP7.90
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.62
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2,8-Dihydroxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10412249
2,8-Dimethoxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10918038
(2S,3R)-8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391940
8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130392115
6-Morpholino-3-(4-morpholinophenyl)-3-phenyl-3h-naphtho[2,1-b]pyran
CID 9806148
4-(3,3-Diphenylbenzo[f]chromen-6-yl)morpholine
CID 22590674
(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10075594
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10167794
1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10186606
(2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10187819
(2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10210995
1,1,1-trifluoro-3-[N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10218107

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine (CID 15509210) is 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is FC(F)(F)c1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
The InChIKey is HVBJNCLBCJVIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F6N2O3/c36-34(37,38)29-10-7-24(21-30(29)35(39,40)41)33(23-5-8-25(9-6-23)42-13-17-44-18-14-42)12-11-28-26-3-1-2-4-27(26)31(22-32(28)46-33)43-15-19-45-20-16-43/h1-12,21-22H,13-20H2.
What are the key properties of 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine?
4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine has a molecular weight of 640.62 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3,4-bis(trifluoromethyl)phenyl]-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine is sourced from PubChem (CID 15509210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).