(1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one

C34H24Cl4N2O3 — CID 139065942

IUPAC(1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
SMILESO=C1[C@]2(CCC[C@]13ON=C(c1c(Cl)cccc1Cl)[C@H]3c1ccccc1)ON=C(c1c(Cl)cccc1Cl)[C@H]2c1ccccc1
InChIInChI=1S/C34H24Cl4N2O3/c35-22-14-7-15-23(36)26(22)30-28(20-10-3-1-4-11-20)33(42-39-30)18-9-19-34(32(33)41)29(21-12-5-2-6-13-21)31(40-43-34)27-24(37)16-8-17-25(27)38/h1-8,10-17,28-29H,9,18-19H2/t28-,29-,33-,34-/m1/s1
InChIKeyQBTUQSVYJPMPIN-KANWNJQCSA-N
MW650.39 g/mol
LogP9.27
Rot. Bonds4

About (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one

(1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one (PubChem CID 139065942) has the molecular formula C34H24Cl4N2O3 and a molecular weight of 650.39 g/mol. Its IUPAC name is (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one.

Molecular Properties

Compound Name(1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
PubChem CID139065942
Molecular FormulaC34H24Cl4N2O3
Molecular Weight650.39 g/mol
Exact Mass648.05
IUPAC Name(1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
SMILESO=C1[C@]2(CCC[C@]13ON=C(c1c(Cl)cccc1Cl)[C@H]3c1ccccc1)ON=C(c1c(Cl)cccc1Cl)[C@H]2c1ccccc1
InChIInChI=1S/C34H24Cl4N2O3/c35-22-14-7-15-23(36)26(22)30-28(20-10-3-1-4-11-20)33(42-39-30)18-9-19-34(32(33)41)29(21-12-5-2-6-13-21)31(40-43-34)27-24(37)16-8-17-25(27)38/h1-8,10-17,28-29H,9,18-19H2/t28-,29-,33-,34-/m1/s1
InChIKeyQBTUQSVYJPMPIN-KANWNJQCSA-N
XLogP9.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.39
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one with MolForge

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Launch Full Analysis

Related Compounds

4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9-diazadispiro[4.1.4.4]pentadeca-2,9-dien-6-one
CID 139065742
(1S,5S,7R,11R)-1,11-bis(4-chlorophenyl)-2,10-bis(2,6-dichlorophenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.45]pentadeca-2,9-dien-6-one
CID 139065743
3,10-Bis(2,6-dichlorophenyl)-4,11-diphenyl-1,8-dioxa-2,9-diazadispiro[4.1.4.2]trideca-2,9-dien-6-one
CID 139065943
3,10-Bis(2,6-dichlorophenyl)-4,11-diphenyl-1,8-dioxa-2,9-diazadispiro[4.1.4.4]pentadeca-2,9-dien-6-one
CID 139066151
4,11-Bis(4-chlorophenyl)-3,10-bis(2,6-dichlorophenyl)-1,8-dioxa-2,9-diaza-dispiro[4.1.4.3]tetradeca-2,9-dien-6-one hydrate
CID 139065687
(1S,5S,7S,11S)-1,11-bis(4-chlorophenyl)-2,10-bis(2,6-dichlorophenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
CID 139065688
(1R,5R,7R,11R)-1,11-bis(4-chlorophenyl)-2,10-bis(2,6-dichlorophenyl)-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
CID 139065689

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
The IUPAC name of (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one (CID 139065942) is (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one.
What is the SMILES notation for (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
The canonical SMILES for (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one is O=C1[C@]2(CCC[C@]13ON=C(c1c(Cl)cccc1Cl)[C@H]3c1ccccc1)ON=C(c1c(Cl)cccc1Cl)[C@H]2c1ccccc1.
What is the InChIKey of (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
The InChIKey is QBTUQSVYJPMPIN-KANWNJQCSA-N. The full InChI is InChI=1S/C34H24Cl4N2O3/c35-22-14-7-15-23(36)26(22)30-28(20-10-3-1-4-11-20)33(42-39-30)18-9-19-34(32(33)41)29(21-12-5-2-6-13-21)31(40-43-34)27-24(37)16-8-17-25(27)38/h1-8,10-17,28-29H,9,18-19H2/t28-,29-,33-,34-/m1/s1.
What are the key properties of (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one?
(1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one has a molecular weight of 650.39 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R,11R)-2,10-bis(2,6-dichlorophenyl)-1,11-diphenyl-4,8-dioxa-3,9-diazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one is sourced from PubChem (CID 139065942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).