(1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene

C48H36Cl4N4O4 — CID 46938674

IUPAC(1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene
SMILESC[C@H](c1ccccc1)N1C[C@@]2(ON=C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2Cl)C2(ON=C(c3ccccc3)O2)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C48H36Cl4N4O4/c1-30(31-14-6-2-7-15-31)56-28-46(41(37-24-22-35(49)26-39(37)51)43(53-58-46)32-16-8-3-9-17-32)48(57-45(55-60-48)34-20-12-5-13-21-34)47(29-56)42(38-25-23-36(50)27-40(38)52)44(54-59-47)33-18-10-4-11-19-33/h2-27,30,41-42H,28-29H2,1H3/t30-,41-,42+,46-,47+,48?/m1/s1
InChIKeyJYRPRYCIMNAAOI-PMRXKHHJSA-N
MW874.65 g/mol
LogP11.70
Rot. Bonds7

About (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene

(1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene (PubChem CID 46938674) has the molecular formula C48H36Cl4N4O4 and a molecular weight of 874.65 g/mol. Its IUPAC name is (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene.

Molecular Properties

Compound Name(1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene
PubChem CID46938674
Molecular FormulaC48H36Cl4N4O4
Molecular Weight874.65 g/mol
Exact Mass872.15
IUPAC Name(1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene
SMILESC[C@H](c1ccccc1)N1C[C@@]2(ON=C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2Cl)C2(ON=C(c3ccccc3)O2)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl
InChIInChI=1S/C48H36Cl4N4O4/c1-30(31-14-6-2-7-15-31)56-28-46(41(37-24-22-35(49)26-39(37)51)43(53-58-46)32-16-8-3-9-17-32)48(57-45(55-60-48)34-20-12-5-13-21-34)47(29-56)42(38-25-23-36(50)27-40(38)52)44(54-59-47)33-18-10-4-11-19-33/h2-27,30,41-42H,28-29H2,1H3/t30-,41-,42+,46-,47+,48?/m1/s1
InChIKeyJYRPRYCIMNAAOI-PMRXKHHJSA-N
XLogP11.70
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.65
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene?
The IUPAC name of (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene (CID 46938674) is (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene.
What is the SMILES notation for (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene?
The canonical SMILES for (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene is C[C@H](c1ccccc1)N1C[C@@]2(ON=C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2Cl)C2(ON=C(c3ccccc3)O2)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene?
The InChIKey is JYRPRYCIMNAAOI-PMRXKHHJSA-N. The full InChI is InChI=1S/C48H36Cl4N4O4/c1-30(31-14-6-2-7-15-31)56-28-46(41(37-24-22-35(49)26-39(37)51)43(53-58-46)32-16-8-3-9-17-32)48(57-45(55-60-48)34-20-12-5-13-21-34)47(29-56)42(38-25-23-36(50)27-40(38)52)44(54-59-47)33-18-10-4-11-19-33/h2-27,30,41-42H,28-29H2,1H3/t30-,41-,42+,46-,47+,48?/m1/s1.
What are the key properties of (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene?
(1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene has a molecular weight of 874.65 g/mol, XLogP of 11.70, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,11R,15S)-1,15-bis(2,4-dichlorophenyl)-2,9,14-triphenyl-17-[(1R)-1-phenylethyl]-4,7,10,12-tetraoxa-3,8,13,17-tetrazatrispiro[4.0.46.0.411.35]octadeca-2,8,13-triene is sourced from PubChem (CID 46938674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).